2-Butenoic acid, 2-(benzoylamino)-3-methyl-, methyl ester

Base Information

• Chemical Name: 2-Butenoic acid, 2-(benzoylamino)-3-methyl-, methyl ester
• CAS No.: 26924-22-1
• Molecular Formula: C13H15NO3
• Molecular Weight: 233.267
• DSSTox Substance ID: DTXSID40349687
• ChEMBL ID: CHEMBL1890822
• Mol file: 26924-22-1.mol

Synonyms:26924-22-1;MLS000042775;2-Butenoic acid, 2-(benzoylamino)-3-methyl-, methyl ester;CHEMBL1890822;SCHEMBL10872524;DTXSID40349687;HMS2284N10;STK832518;AKOS001642678;SMR000038410;SR-01000466892;SR-01000466892-1;METHYL 2-(BENZOYLAMINO)-3-METHYL-2-BUTENOATE;methyl 3-methyl-2-[(phenylcarbonyl)amino]but-2-enoate

Chemical Property of 2-Butenoic acid, 2-(benzoylamino)-3-methyl-, methyl ester

Chemical Property:

• PSA: 58.89000
• LogP: 2.45810
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 233.10519334
• Heavy Atom Count: 17
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Butenoic acid, 2-(benzoylamino)-3-methyl-, methyl ester

There total 14 articles about 2-Butenoic acid, 2-(benzoylamino)-3-methyl-, 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: 92.0%

α-Azido-β-methylbutansaeure-methylester (81629-64-3) + benzoyl chloride (98-88-4) → methyl 2-benzamido-3-methylbut-2-enoate (26924-22-1)

Guidance literature:

With hydroquinone; rhenium heptasulfide; In ethyl acetate; at 80 ℃; for 18h;

Reference yield: 75.0%

(Z)-N-Acetyl-N-formyl-α-amino-β-tert-butylacrylsaeure-methylester (79751-04-5) → methyl 2-benzamido-3-methylbut-2-enoate (26924-22-1)

Guidance literature:

With hydrogenchloride; In methanol; for 2h; Heating;

Reference yield: 64.0%

N-benzoyl-2,3-dibromovaline methyl ester (98517-04-5) → methyl 2-benzamido-3-methylbut-2-enoate (26924-22-1)

Guidance literature:

With pyridine; for 0.5h; Heating;

upstream raw materials:

methanol

2-phenyl-4-isopropylidene-5(4H)oxazolone

sodium methylate

α-Benzamino-β,β-bis-acetoxymethyl-acrylsaeure-methylester

Downstream raw materials:

N-benzoyl-3-chlorovaline methyl ester

2-Phenyl-5,5-dimethyl-2-thiazoline-4-carboxylic acid

N-benzoyl-2,3-dichlorovaline methyl ester

methyl 2-benzamido-3-methylbutanoate