ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate

Base Information

• Chemical Name: ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate
• CAS No.: 67044-05-7
• Molecular Formula: C₁₄H₂₁NO₄
• Molecular Weight: 267.325
• DSSTox Substance ID: DTXSID601214713
• ChEMBL ID: CHEMBL1620284
• Mol file: 67044-05-7.mol

Synonyms:ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate;3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester;SCHEMBL6136228;CHEMBL1620284;BEYOHIUUBRQWQF-UHFFFAOYSA-N;DTXSID601214713;STK722680;AKOS002125590;N-[(3,4-Dimethoxyphenyl)methyl]-beta-alanine ethyl ester;67044-05-7

Chemical Property of ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 267.14705815
• Heavy Atom Count: 19
• Complexity: 260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCNCC1=CC(=C(C=C1)OC)OC

Technology Process of ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate

There total 2 articles about ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate 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: 89.0%

3,4-dimethoxybenzylamine (5763-61-1) + ethyl acrylate (140-88-5,9003-32-1) → 3-(3,4-dimethoxy-benzylamino)-propionic acid ethyl ester (67044-05-7)

Guidance literature:

With CLEA Pseudomonas stutzeri lipase (PSL); In hexane; at 60 ℃; for 96h; Sealed tube; Enzymatic reaction;

DOI:10.1021/jo400268u

Reference yield:

→ 3-(3,4-dimethoxy-benzylamino)-propionic acid ethyl ester (67044-05-7)

Guidance literature:

nach Lit 14)-19);

DOI:10.1248/yakushi1947.98.4_448

Reference yield:

({[3-methoxy-4-(3-o-tolylureido)phenyl]-acetyl}-N-methylamino)-acetic acid (229630-38-0) + 3-(3,4-dimethoxy-benzylamino)-propionic acid ethyl ester (67044-05-7) → 3-{(3,4-dimethoxy-benzyl)-[({[3-methoxy-4-(3-o-tolylureido)phenyl]-acetyl}-N-methylamino)-acetyl]-amino}-propionic acid ethyl ester

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 20h;

upstream raw materials:

3,4-dimethoxybenzylamine

ethyl acrylate

Downstream raw materials:

3-{(3,4-dimethoxy-benzyl)-[({[3-methoxy-4-(3-o-tolylureido)phenyl]-acetyl}-N-methylamino)-acetyl]-amino}-propionic acid

ethyl 1-(3,4-dimethoxybenzyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate