3-Methoxybutanoic acid

Base Information

• Chemical Name: 3-Methoxybutanoic acid
• CAS No.: 10024-70-1
• Molecular Formula: C₅H₁₀O₃
• Molecular Weight: 118.133
• Hs Code.: 2918990090
• European Community (EC) Number: 233-028-9
• NSC Number: 2145
• DSSTox Substance ID: DTXSID501030017
• Nikkaji Number: J35.102D
• Mol file: 10024-70-1.mol

Synonyms:3-Methoxybutanoic acid;10024-70-1;3-Methoxybutyric acid;Butanoic acid, 3-methoxy-;3-Methoxy butanoic acid;BUTYRIC ACID, 3-METHOXY-;Kyselina 3-methoxymaselna;Kyselina 3-methoxymaselna [Czech];NSC 2145;EINECS 233-028-9;BRN 1721210;AI3-24203;4-03-00-00761 (Beilstein Handbook Reference);3-Methoxybutanoicacid;(RS)-3-methoxybutanoic acid;SCHEMBL143521;WLN: QV1Y1&O1;NSC2145;DTXSID501030017;NSC-2145;MFCD00029817;AKOS008135365;BS-12892;LS-48096;CS-0216817;EN300-61796;F86960;Z431536426

Chemical Property of 3-Methoxybutanoic acid

Chemical Property:

• Vapor Pressure: 0.198mmHg at 25°C
• Melting Point: 12°C
• Refractive Index: 1.4238
• Boiling Point: 193.8°Cat760mmHg
• PKA: 4.26±0.10(Predicted)
• Flash Point: 78.6°C
• PSA: 46.53000
• Density: 1.05g/cm³
• LogP: 0.49600
• Storage Temp.: 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 79.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-MethoxybutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)O)OC

Technology Process of 3-Methoxybutanoic acid

There total 16 articles about 3-Methoxybutanoic 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: 20.0%

3,3-Dichloro-2-butanone (2648-57-9) + sodium methylate (124-41-4) → (E)-but-2-enoic acid (107-93-7) + 3-methoxybutanoic acid (10024-70-1,16510-79-5) + 3,3-dimethoxy-butan-2-one (21983-72-2)

Guidance literature:

In methanol; -78 deg C, then 48 days, roomtemp.;

DOI:10.1021/jo00178a021

Reference yield:

methanol (67-56-1) + 2-butenoic acid (3724-65-0) → 3-methoxybutanoic acid (10024-70-1,16510-79-5)

Guidance literature:

im ultravioletten Licht;

Reference yield:

methanol (67-56-1) + (E)-but-2-enoic acid (107-93-7) → 3-methoxybutanoic acid (10024-70-1,16510-79-5)

Guidance literature:

mit der Licht der Uviolquecksilberlampe reagiert analog wie bei der vorangehenden Reaktion_.Irradiation;

upstream raw materials:

methanol

2-butenoic acid

(E)-but-2-enoic acid

methyl crotonate

Downstream raw materials:

3-Methoxy-2-methyl-buttersaeure

D-3-methoxy-butyronitrile

Refernces

• 1、 Wang, Feng,Yang, Haijun,Fu, Hua,Pei, Zhichao. "Efficient copper-catalyzed Michael addition of acrylic derivatives with primary alcohols in the presence of base". supporting information. p. 517 - 519. Retrieved 2013/02/23.
• 2、 Li, Jun,Uzawa, Jun,Doi, Yoshiharu. "Conformational Analysis of Oligomers of (R)-3-Hydroxybutanoic Acid in Solutions by 1H NMR Spectroscopy". . p. 1683 - 1689. Retrieved 2007/10/03.