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Cas Database |
| Name |
Methyl 3-methoxypropionate |
EINECS | 223-358-1 |
| CAS No. | 3852-09-3 | Density | 0.977 g/cm3 |
| PSA | 35.53000 | LogP | 0.19590 |
| Solubility | 428.60g/L(25 oC) | Melting Point |
N/A |
| Formula | C5H10O3 | Boiling Point | 143.6 °C at 760 mmHg |
| Molecular Weight | 118.133 | Flash Point | 43.5 °C |
| Transport Information | UN 3272 3/PG 3 | Appearance | Clear colorless liquid |
| Safety | 26-36-37/39 | Risk Codes | 10-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Propionicacid, 3-methoxy-, methyl ester (6CI,7CI,8CI);beta-Methoxypropionic acid, methyl ester;3-Methoxypropionic acid methyl ester;Methyl b-methoxypropionate;NSC 65578;BRN 1744829;Methylester kyseliny 3-methoxypropionove; |
Article Data | 55 |
Methyl 3-methoxypropionate Synthetic route
| Conditions | Yield |
|---|---|
| With sodium methylate at 60℃; for 8h; | 99% |
| With sodium methylate; 4-methoxy-phenol at 40 - 60℃; for 6h; Temperature; Reagent/catalyst; | 99% |
| With triethylamine at 20℃; for 8h; Temperature; Reagent/catalyst; Large scale; | 98% |
| Conditions | Yield |
|---|---|
| With 4-methoxy-phenol In methanol at 40 - 60℃; for 6h; Reagent/catalyst; | 99% |
| In methanol for 24h; Heating; | 54% |
| Conditions | Yield |
|---|---|
| With hydroquinone In methanol at 40℃; for 20h; | 88% |
- 67-56-1
methanol
A
- 3395-91-3
Methyl 3-bromopropionate
B
- 3852-09-3
methyl 3-methoxypropionate
C
- 106-93-4
ethylene dibromide
D
- 6482-24-2
2-Bromoethyl methyl ether
| Conditions | Yield |
|---|---|
| With bromine at -80℃; temperature up to 30 deg C; | A 67% B n/a C n/a D n/a |
- 292638-85-8
acrylic acid methyl ester
B
- 3852-09-3
methyl 3-methoxypropionate
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol | A 65% B n/a |
- 292638-85-8
acrylic acid methyl ester
- 108-93-0
cyclohexanol
A
- 3852-09-3
methyl 3-methoxypropionate
B
- 3066-71-5
cyclohexyl acrylate
C
- 112032-53-8
3-Methoxy-propionic acid cyclohexyl ester
| Conditions | Yield |
|---|---|
| With n-butyllithium; bis(acetylacetonate)nickel(II) In benzene at 90℃; for 5h; Product distribution; | A 22% B 23% C 52% |
- 584-02-1
2-pentanol
- 292638-85-8
acrylic acid methyl ester
A
- 3852-09-3
methyl 3-methoxypropionate
B
- 4513-35-3
3-pentyl acrylate
C
- 112032-52-7
3-Methoxy-propionic acid 1-ethyl-propyl ester
| Conditions | Yield |
|---|---|
| With n-butyllithium; bis(acetylacetonate)nickel(II) In benzene at 90℃; for 5h; Product distribution; other temp., other time; | A 19% B 25% C 48% |
- 292638-85-8
acrylic acid methyl ester
- 67-63-0
isopropyl alcohol
A
- 3852-09-3
methyl 3-methoxypropionate
B
- 689-12-3
isopropyl acrylate
C
- 10500-14-8
isopropyl 3-methoxypropionate
D
- 4220-74-0
3-isopropoxy-propionic acid isopropyl ester
| Conditions | Yield |
|---|---|
| With n-butyllithium; bis(acetylacetonate)nickel(II) In benzene at 90℃; for 5h; Product distribution; other temp, other time; | A 17% B 15% C 42% D 26% |
- 292638-85-8
acrylic acid methyl ester
- 78-92-2, 15892-23-6
iso-butanol
A
- 3852-09-3
methyl 3-methoxypropionate
B
- 2998-08-5
sec-butyl acrylate
C
- 112032-50-5
3-methoxy-propionic acid sec-butyl ester
D
- 112032-51-6
3-sec-butoxy-propionic acid sec-butyl ester
| Conditions | Yield |
|---|---|
| With n-butyllithium; bis(acetylacetonate)nickel(II) In benzene at 90℃; for 5h; Product distribution; | A 27% B 28% C 33% D 6% |
- 292638-85-8
acrylic acid methyl ester
- 75-65-0
tert-butyl alcohol
A
- 1663-39-4
tert-Butyl acrylate
B
- 3852-09-3
methyl 3-methoxypropionate
C
- 81048-08-0
3-tert.-Butoxypropionsaeuremethylester
D
- 112032-54-9
3-Methoxy-propionic acid tert-butyl ester
E
- 21150-74-3
tert-butyl β-tert-butoxypropionate
| Conditions | Yield |
|---|---|
| With n-butyllithium; bis(acetylacetonate)nickel(II) In benzene at 90℃; for 5h; Product distribution; other time, other temp.; | A 33% B 26% C 9% D 32% E 3% |
Methyl 3-methoxypropionate Consensus Reports
Reported in EPA TSCA Inventory.
Methyl 3-methoxypropionate Specification
The 3-Methoxypropionic acid methyl ester with CAS registry number of 3852-09-3 is also known as Propanoic acid,3-methoxy-, methyl ester. The IUPAC name is Methyl 3-methoxypropionate. It belongs to product categories of Aromatic Propionic Acids; C2 to C5; Carbonyl Compounds; Esters. Its EINECS registry number is 223-358-1. In addition, the formula is C5H10O3 and the molecular weight is 118.13. This chemical is a clear colorless liquid that may cause inflammation to the skin or other mucous membranes. It should be sealed in ventilated and dry without light at roon temperature. What's more, this chemical can be used as pharmaceutical intermediate.
Physical properties about 3-Methoxypropionic acid methyl ester are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.11; (8)ACD/KOC (pH 7.4): 30.11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.391; (13)Molar Refractivity: 28.73 cm3; (14)Molar Volume: 120.9 cm3; (15)Surface Tension: 26.9 dyne/cm; (16)Density: 0.976 g/cm3; (17)Flash Point: 43.5 °C; (18)Enthalpy of Vaporization: 38.07 kJ/mol; (19)Boiling Point: 143.6 °C at 760 mmHg; (20)Vapour Pressure: 5.3 mmHg at 25 °C.
Preparation of 3-Methoxypropionic acid methyl ester: it is prepared by reaction of acrylic acid methyl ester with methanol; sodium salt. The reaction needs reagent methanol with other condition of heating for 24 hours. The yield is about 54%.
Uses of 3-Methoxypropionic acid methyl ester: it is used to produce 4-methoxy-2-methyl-butan-2-ol by reaction with methylmagnesium iodide. The reaction occurs with reagent diethyl ether at 20 °C for 18 hours. The yield is about 59%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is flammable. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: COCCC(=O)OC
2. InChI: InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3
3. InChIKey: BDJSOPWXYLFTNW-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 40gm/m3 (40000mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(3), Pg. 48, 1974. | |
| rat | LCLo | inhalation | 3656ppm/6H (3656ppm) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0486-0599, |
| rat | LDLo | oral | 1700mg/kg (1700mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA | United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0486-0599, |
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