phenyl N-(3,4-dimethoxyphenethyl)carbamate

Base Information

• Chemical Name: phenyl N-(3,4-dimethoxyphenethyl)carbamate
• CAS No.: 84354-07-4
• Molecular Formula: C17H19NO4
• Molecular Weight: 301.342
• DSSTox Substance ID: DTXSID10358327
• Nikkaji Number: J2.024.369D
• Wikidata: Q82138816
• ChEMBL ID: CHEMBL1876354
• Mol file: 84354-07-4.mol

Synonyms:84354-07-4;phenyl N-(3,4-dimethoxyphenethyl)carbamate;phenyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate;HMS2877O14;phenyl [2-(3,4-dimethoxyphenyl)ethyl]carbamate;MLS001195460;SCHEMBL3279938;CHEMBL1876354;DTXSID10358327;Phenyl3,4-dimethoxyphenethylcarbamate;STK125964;AKOS003236876;Phenyl 3,4-dimethoxyphenethylcarbamate;MS-1112;Phenyl (3,4-dimethoxyphenethyl)carbamate;SMR000550686;CS-0362872;SR-01000258933;SR-01000258933-1

Chemical Property of phenyl N-(3,4-dimethoxyphenethyl)carbamate

Chemical Property:

• PSA: 60.28000
• LogP: 3.23930
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 301.13140809
• Heavy Atom Count: 22
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCNC(=O)OC2=CC=CC=C2)OC

Technology Process of phenyl N-(3,4-dimethoxyphenethyl)carbamate

There total 1 articles about phenyl N-(3,4-dimethoxyphenethyl)carbamate 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: 98.0%

2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) + phenyl chloroformate (1885-14-9) → [2-(3,4-dimethoxy-phenyl)-ethyl]-carbamic acid phenyl ester (84354-07-4)

Guidance literature:

With triethylamine; In dichloromethane; for 0.75h; Ambient temperature;

DOI:10.1016/S0014-827X(97)00011-6

Reference yield: 90.0%

[2-(3,4-dimethoxy-phenyl)-ethyl]-carbamic acid phenyl ester (84354-07-4) → C11H17N3O3 (208396-73-0)

Guidance literature:

With hydrazine hydrate; at 80 - 90 ℃; for 12h;

DOI:10.1016/S0014-827X(97)00011-6

Reference yield: 71.0%

triethylaluminum (97-93-8) + [2-(3,4-dimethoxy-phenyl)-ethyl]-carbamic acid phenyl ester (84354-07-4) → N-(3,4-Dimethoxyphenethyl)propionamide (67191-53-1)

Guidance literature:

In 1,2-dichloro-ethane; toluene; at -30 - 65 ℃; for 72h;

DOI:10.1021/ol036234f

upstream raw materials:

2-(3,4-dimethoxyphenyl)-ethylamine

phenyl chloroformate

Downstream raw materials:

1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid phenyl ester

C₁₁H₁₇N₃O₃

N-(3,4-Dimethoxyphenethyl)propionamide