Methyl 4-methoxybutanoate

Base Information

• Chemical Name: Methyl 4-methoxybutanoate
• CAS No.: 29006-01-7
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• Hs Code.: 2918990090
• European Community (EC) Number: 608-306-1
• DSSTox Substance ID: DTXSID00337383
• Nikkaji Number: J108.718E
• Wikidata: Q72492567
• Mol file: 29006-01-7.mol

Synonyms:Methyl 4-methoxybutanoate;29006-01-7;Methyl 4-methoxybutyrate;Butanoic acid, 4-methoxy-, methyl ester;4-Methoxybutyric acid methyl ester;Butyric acid, 4-methoxy-, methyl ester;MFCD00274316;Methyl4-methoxybutanoate;SCHEMBL907647;Methyl 4-methoxybutyrate, 98%;DTXSID00337383;4-methoxy-butyric acid methyl ester;BCP29905;AKOS009156523;CS-W011093;DS-9514;SY096667;FT-0698176;F14920;A851206;methyl 4-methoxybutanoate;Methyl 4-Methoxybutyrate;J-017351

Chemical Property of Methyl 4-methoxybutanoate

Chemical Property:

• Vapor Pressure: 3.1mmHg at 25°C
• Refractive Index: n20/D 1.408(lit.)
• Boiling Point: 154.9 °C at 760 mmHg
• Flash Point: 47.9 °C
• PSA: 35.53000
• Density: 0.961 g/cm³
• LogP: 0.58600
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 80.4

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-Methoxybutanoate ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCCC(=O)OC

Technology Process of Methyl 4-methoxybutanoate

There total 2 articles about Methyl 4-methoxybutanoate 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: 77.2%

furan (110-00-9) + methanol (67-56-1) → tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + 1,4-dimethoxybutane (13179-96-9) + Methyl formate (107-31-3) + Methyl 4-methoxybutyrate (29006-01-7) + butan-1-ol (71-36-3)

Guidance literature:

With palladium on activated charcoal; hydrogen; at 170 ℃; for 2h; under 52505.3 Torr; Autoclave;

DOI:10.1039/c4gc01826e

Reference yield:

glutaric anhydride, (108-55-4) → 4-butanolide (96-48-0) + Methyl β-methoxybutyrate (3136-17-2,117745-43-4,117745-47-8) + 3-hydroxybutyric acid methyl ester (1487-49-6) + Methyl 4-methoxybutyrate (29006-01-7) + dimethyl 1,7-heptanedioate (1732-08-7) + dimethyl subarate (1732-09-8)

Guidance literature:

With electrochemical reduction; Product distribution; by-products;

Reference yield: 96.0%

Methyl 4-methoxybutyrate (29006-01-7) → 4-methoxybutyric acid (29006-02-8)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 16h;

upstream raw materials:

glutaric anhydride,

furan

methanol

Downstream raw materials:

methyl hydrogen succinate

Dimethyl succinate

6-methoxy-1-phenyl-1,3-hexanedione

2-allyl-6-methoxy-1-phenyl-1,3-hexanedione

Refernces

• 1、 Shirobokova, O. I.,Adamov, A. A.,Freidlin, G. N.,Antonenko, N. S.,Grudtsyn, Yu. D.. "BY-PRODUCTS OF ELECTROCHEMICAL SYNTHESIS OF SUBERIC ACID". . p. 2428 - 2429. Retrieved 2007/10/02.