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| CAS No.: | 5205-39-0 |
|---|---|
| Name: | ETHYL GLUTARYL CHLORIDE |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C7H11ClO3 |
| Molecular Weight: | 178.616 |
| Synonyms: | Butyricacid, 4-(chloroformyl)-, ethyl ester (6CI,7CI,8CI);5-Chloro-5-oxopentanoicacid ethyl ester;Ethyl 4-(chloroformyl)butanoate;Ethyl 4-(chloroformyl)butyrate;Ethyl 5-chloro-5-oxopentanoate;Ethyl glutaric acidchloride;Ethyl glutaroyl chloride;Ethyl glutaryl chloride;Glutaric acidethyl ester chloride;NSC 249814;g-Carbethoxybutyryl chloride; |
| EINECS: | 226-000-2 |
| Density: | 1.144 g/cm3 |
| Boiling Point: | 230.001 °C at 760 mmHg |
| Flash Point: | 92.564 °C |
| Solubility: | Soluble in water. |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-37 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 43.37000 |
| LogP: | 1.48520 |
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| Conditions | Yield |
|---|---|
| 68% |
| Conditions | Yield |
|---|---|
| (i), (ii) SOCl2; Multistep reaction; | |
| Stage #1: glutaric anhydride,; ethanol Heating; Stage #2: With thionyl chloride |
| Conditions | Yield |
|---|---|
| With thionyl chloride | |
| With thionyl chloride for 72h; | |
| With phosphorus pentachloride In diethyl ether for 1h; Ambient temperature; |
- 5205-39-0
ethyl glutaroyl chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride; diethyl ether |
- 5205-39-0
ethyl glutaroyl chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride; diethyl ether |
- 5205-39-0
ethyl glutaroyl chloride
- 152906-79-1
{5-chloro-2-[(2,2-dimethylpropyl)amino]phenyl}(2-chlorophenyl)methanol
- 1292849-83-2
ethyl 5-[{4-chloro-2-[(2-chlorophenyl)(hydroxy)methyl]-phenyl}(2,2-dimethylpropyl)amino]-5-oxopentanoate
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In dichloromethane at 20℃; for 2h; Cooling with ice; | 100% |
- 5205-39-0
ethyl glutaroyl chloride
- 101403-24-1
(S)-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propylamine hydrochloride
- 1403822-88-7
(S)-ethyl 5-((5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)amino)-5-oxopentanoate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; for 3h; | 99% |
| Conditions | Yield |
|---|---|
| With pyridine In benzene at 90℃; for 0.5h; | 98% |
- 5205-39-0
ethyl glutaroyl chloride
- 65960-05-6
1-hexynylzinc chloride
- 473611-24-4
5-oxo-undec-6-ynoic acid ethyl ester
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at -78 - 0℃; for 1h; | 98% |
- 5205-39-0
ethyl glutaroyl chloride
- 14812-60-3
2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane
- 108429-31-8
5-Oxo-5-(4,4,5,5-tetramethyl-2-oxo-2λ5-[1,3,2]dioxaphospholan-2-yl)-pentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| at 20 - 35℃; | 97% |
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Specification
The Ethyl 5-chloro-5-oxovalerate, with the CAS registry number 5205-39-0, is also known as Ethyl 4-(chloroformyl)butanoate. It belongs to the product categories of Halogen compounds; Acid Halides; Building Blocks; Carbonyl Compounds; Chemical Synthesis; Organic Building Blocks. Its EINECS number is 226-000-2. This chemical's molecular formula is C7H11ClO3 and molecular weight is 178.61. What's more, its systematic name is Ethyl 5-chloro-5-oxopentanoate. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.
Physical properties of Ethyl 5-chloro-5-oxovalerate are: (1)ACD/LogP: 1.025; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.54; (6)ACD/BCF (pH 7.4): 3.54; (7)ACD/KOC (pH 5.5): 85.97; (8)ACD/KOC (pH 7.4): 85.97; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 41.133 cm3; (15)Molar Volume: 156.069 cm3; (16)Polarizability: 16.306×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.144 g/cm3; (19)Flash Point: 92.564 °C; (20)Enthalpy of Vaporization: 46.663 kJ/mol; (21)Boiling Point: 230.001 °C at 760 mmHg; (22)Vapour Pressure: 0.07 mmHg at 25°C.
Preparation of Ethyl 5-chloro-5-oxovalerate: this chemical can be prepared by Thionyl chloride and glutaric acid monoethyl ester. The yield is about 68%.
Uses of Ethyl 5-chloro-5-oxovalerate: it can be used to produce Ethyl-5-oxo-nonanoat at the temperature of -10 - 20 °C. It will need solvent tetrahydrofuran with the reaction time of 1.5 hours. The yield is about 88%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is irritating to respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CCCC(Cl)=O
(2)Std. InChI: InChI=1S/C7H11ClO3/c1-2-11-7(10)5-3-4-6(8)9/h2-5H2,1H3
(3)Std. InChIKey: KKJAQUGGQMCNJY-UHFFFAOYSA-N