2-Butenoic acid, 2,3-dimethyl-, methyl ester

Base Information

• Chemical Name: 2-Butenoic acid, 2,3-dimethyl-, methyl ester
• CAS No.: 49714-66-1
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• DSSTox Substance ID: DTXSID70482495
• Nikkaji Number: J1.669.237I
• Mol file: 49714-66-1.mol

Synonyms:2-Butenoic acid, 2,3-dimethyl-, methyl ester;49714-66-1;methyl 2,3-dimethylbut-2-enoate;dimethyl methyl methacrylate;SCHEMBL370133;DTXSID70482495

Chemical Property of 2-Butenoic acid, 2,3-dimethyl-, methyl ester

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C(C)C(=O)OC)C

Technology Process of 2-Butenoic acid, 2,3-dimethyl-, methyl ester

There total 1 articles about 2-Butenoic acid, 2,3-dimethyl-, methyl ester 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:

3,3-dimethyl-2-trifluoromethanesulfonyloxy-butyric acid methyl ester → Methyl 2,3-dimethyl-2-butenoate (49714-66-1) + (+/-)-methyl (2-hydroxy-3,3-dimethyl)butyrate (121129-31-5) + methyl trimethylpyruvate (38941-46-7) + methyl 2,3-dimethylbut-3-enoate (49714-67-2)

Guidance literature:

With 2,6-dimethylpyridine; In dimethylsulfoxide-d6; at 25 ℃; Further Variations:; Solvents; Kinetics; Product distribution;

DOI:10.1021/jo0356558

Reference yield: 82.0%

Methyl 2,3-dimethyl-2-butenoate (49714-66-1) + diphenylphosphane (829-85-6) → 3-Diphenylphosphanyl-2,3-dimethyl-butyric acid methyl ester

Guidance literature:

With potassium tert-butylate; at 150 ℃; for 16h;

Reference yield:

Methyl 2,3-dimethyl-2-butenoate (49714-66-1) → 2,3,3-Trimethyl-4-phenyl-1-tetralon (57090-84-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNH₂, liq. NH₃ / diethyl ether

2: H₂SO₄

With sulfuric acid; ammonia; sodium amide; In diethyl ether;

DOI:10.1021/jo00863a025

Downstream raw materials:

4,4-Diphenyl-2,3,3-trimethylbutansaeuremethylester

2-Hydroperoxy-2,3-dimethyl-but-3-enoic acid methyl ester

3-Hydroperoxy-3-methyl-2-methylene-butyric acid methyl ester

4-methylene-5,5-dimethyl-1,2-dioxolan-3-one