4-(2,5-Dimethoxyphenyl)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(2,5-Dimethoxyphenyl)-4-oxobutanoic acid
• CAS No.: 1084-74-8
• Molecular Formula: C12H14O5
• Molecular Weight: 238.24
• Hs Code.: 2918990090
• European Community (EC) Number: 622-905-5
• NSC Number: 103070
• DSSTox Substance ID: DTXSID50295560
• Nikkaji Number: J1.184.057D
• Wikidata: Q82035543
• Mol file: 1084-74-8.mol

Synonyms:1084-74-8;4-(2,5-dimethoxyphenyl)-4-oxobutanoic acid;4-(2,5-Dimethoxy-phenyl)-4-oxo-butyric acid;3-(2',5'-Dimethoxybenzoyl)propionic acid;4-(2,5-dimethoxyphenyl)-4-oxobutyric acid;MFCD00089268;NSC103070;NCIOpen2_007295;Oprea1_452966;SCHEMBL5055127;DTXSID50295560;BAA08474;BBL000667;STK365740;AKOS000100230;NSC-103070;NS-03264;Benzenebutanoic acid,2,5-dimethoxy-g-oxo-;4-(2,5-dimethoxyphenyl)-4-oxobutanoicacid;BB 0217341;CS-0061946;EN300-216994;3-(2',5'-Dimethoxybenzoyl)propionic acid, 97%;3-(2/' 5/'-DIMETHOXYBENZOYL)PROPIONIC ACI;J-002152;Z285137120

Chemical Property of 4-(2,5-Dimethoxyphenyl)-4-oxobutanoic acid

Chemical Property:

• Melting Point: 102-106 °C(lit.)
• Boiling Point: 429.1 °C at 760 mmHg
• Flash Point: 166 °C
• PSA: 72.83000
• Density: 1.211 g/cm³
• LogP: 1.75130
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 238.08412354
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

4-(2,5-Dimethoxyphenyl)-4-oxobutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-(2,5-Dimethoxyphenyl)-4-oxobutanoic acid

There total 13 articles about 4-(2,5-Dimethoxyphenyl)-4-oxobutanoic 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: 95.0%

succinic acid anhydride (108-30-5) + 1,4-dimethoxybezene (150-78-7) → 3-(2,5-dimethoxybenzoyl)propionic acid (1084-74-8)

Guidance literature:

With aluminium trichloride; In nitromethane; for 5h; Ambient temperature;

Reference yield: 80.0%

1,4-dimethoxybezene (150-78-7) → 3-(2,5-dimethoxybenzoyl)propionic acid (1084-74-8)

Guidance literature:

succinoylation;

Reference yield: 60.0%

1,4-dimethoxybezene (150-78-7) → 3-(2,5-dimethoxybenzoyl)propionic acid (1084-74-8)

Guidance literature:

In 1,2-dichloro-ethane;

DOI:10.1016/0040-4020(82)80233-0

upstream raw materials:

succinic acid anhydride

1,4-dimethoxybezene

diethyl ether

benzene

Downstream raw materials:

2,2,5,5-Tetrakis-(2,5-dimethoxy-phenyl)-tetrahydro-furan

5-(2',5'-dimethoxyphenyl)-2(3H)-furanone

4-(2,5-dihydroxyphenyl)-4-oxobutanoic acid

4-(2,5-dimethoxyphenyl)butyric acid

Refernces

• 1、 Mehl, Lea-Marina,Maier, Martin E.. "A Radical-Based Synthesis of Lingzhiol". . p. 9844 - 9850. Retrieved 2017/09/23.
• 2、 Shon, Minsu,Shanmugavel, Ramachandran,Shin, Giyoung,Mathew, Sam,Lee, Sang-Hyeup,Yun, Hyungdon. "Enzymatic synthesis of chiral γ-amino acids using ω-transaminase". . p. 12680 - 12683. Retrieved 2015/05/20.