3-(4-Methoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)propanoic acid
• CAS No.: 1929-29-9
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29189900
• NSC Number: 51509,33134
• DSSTox Substance ID: DTXSID20871855
• Nikkaji Number: J149.917C
• Wikidata: Q27467977
• ChEMBL ID: CHEMBL1738950
• Mol file: 1929-29-9.mol

Synonyms:1929-29-9;3-(4-Methoxyphenyl)propionic acid;3-(4-Methoxyphenyl)propanoic acid;Benzenepropanoic acid, 4-methoxy-;p-Methoxyhydrocinnamic acid;4-Methoxyhydrocinnamic acid;3-(4-Methoxy-phenyl)-propionic acid;C10H12O3;MFCD00002777;3-(4-methoxyphenyl) propanoic acid;3-(4-methoxyphenyl)-propionic acid;EINECS 217-678-0;NSC 51509;3-[4-methoxyphenyl]propionic acid;5,6BETA-DIHYDROPGI2;4-methoxybenzenepropionic acid;4-Methoxybenzenepropanoic acid;SCHEMBL274471;Hydrocinnamic acid, p-methoxy-;CHEMBL1738950;SCHEMBL12015266;AMY3887;DTXSID20871855;3-(4-Methoxypheny)propionic Acid;NSC33134;NSC51509;3-(4-Hethoxyphenyl) propionic acid;3-(4-methoxyphenyl) propionic acid;BBL002159;NSC 33134;NSC-33134;NSC-51509;STK397833;3-(4-methoxy-phenyl)-propanoic acid;AKOS000120564;AB00265;AC-2921;CS-W008606;GS-3042;NSC 134095;NCGC00188250-01;3-(4-Methoxyphenyl)propionic acid, 98%;SY003344;FT-0613689;M1032;EN300-21051;VU0510794-1;A813618;AG-205/01871025;J-510728;J-650067;Q27467977;F3157-0003;Z104486868;3-(4-methoxyphenyl)propanoate;ZGC

Chemical Property of 3-(4-Methoxyphenyl)propanoic acid

Chemical Property:

• Appearance/Colour: White tolight beige crystalline powder
• Vapor Pressure: 0.00015mmHg at 25°C
• Melting Point: 98-100 °C(lit.)
• Boiling Point: 318.5 °C at 760 mmHg
• PKA: 4.71±0.10(Predicted)
• Flash Point: 125.8 °C
• PSA: 46.53000
• Density: 1.144 g/cm³
• LogP: 1.71240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Methoxyphenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCC(=O)O

Technology Process of 3-(4-Methoxyphenyl)propanoic acid

There total 72 articles about 3-(4-Methoxyphenyl)propanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

(E)-3-(4-methoxyphenyl)acrylic acid (943-89-5) → 3-(4-methoxyphenyl)propanoic acid (1929-29-9)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 3h; under 2280.15 Torr;

DOI:10.1055/s-0039-1690800

Reference yield: 96.0%

4-methoxy-trans-cinnamaldehyde (24680-50-0,71277-11-7,1963-36-6) → 3-(4-methoxyphenyl)propanoic acid (1929-29-9)

Guidance literature:

4-methoxy-trans-cinnamaldehyde; With trimethylsilyl cyanide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 25 ℃; for 4h;

With hydrogenchloride; In diethyl ether; water; at 20 ℃; for 3h;

DOI:10.1016/S0040-4039(02)01133-4

Reference yield: 95.0%

(1-nosyl-5-nitroindol-3-yl)methyl 3-(4-methoxyphenyl)propionate → 3-(4-methoxyphenyl)propanoic acid (1929-29-9)

Guidance literature:

(1-nosyl-5-nitroindol-3-yl)methyl 3-(4-methoxyphenyl)propionate; With 2-(N,N-dimethylamino)ethylthiol hydrochloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 0.25h; Inert atmosphere;

With hydrogenchloride; In diethyl ether; water; acetonitrile; Inert atmosphere;

DOI:10.1021/ol8008655

upstream raw materials:

morpholine

4-Methoxypropiophenone

6-methoxybenzo[b]thiophene-2-carboxylic acid

methyl 3-(4-methoxyphenyl)propionate

Downstream raw materials:

O-methyl 3-(p-methoxyphenyl)propanohydroxamate

1-(4-methoxyphenyl)-3-oxo-pentane

3-(4-methoxyphenyl)-thiopropionic acid (S)-dodecyl ester

(S)-4-Benzyl-3-[(2S,3R)-3-hydroxy-5-(4-methoxy-phenyl)-2-methyl-pentanoyl]-oxazolidin-2-one

Refernces

• 1、 Ohde, Hiroyuki,Wai, Chien M.,Kim, Hakwon,Kim, Jeongryul,Ohde, Mariko. "Hydrogenation of olefins in supercritical CO2 catalyzed by palladium nanoparticles in a water-in-CO2 microemulsion". . p. 4540 - 4541. Retrieved 2002.
• 2、 Huang, Yan,Hou, Jing,Zhan, Le-Wu,Zhang, Qian,Tang, Wan-Ying,Li, Bin-Dong. "Photoredox Activation of Formate Salts: Hydrocarboxylation of Alkenes via Carboxyl Group Transfer". . p. 15004 - 15012. Retrieved 2021/12/14.
• 3、 Zhou, Yu,Fu, Yan,Yin, Wanchao,Li, Jian,Wang, Wei,Bai, Fang,Xu, Shengtao,Gong, Qi,Peng, Tao,Hong, Yu,Zhang, Dong,Zhang, Dan,Liu, Qiufeng,Xu, Yechun,Xu, H. Eric,Zhang, Haiyan,Jiang, Hualiang,Liu, Hong. "Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate". . p. 1844 - 1855. Retrieved 2021/03/01.