n-[2-(3,4-Dimethoxyphenyl)ethyl]formamide

Base Information

• Chemical Name: n-[2-(3,4-Dimethoxyphenyl)ethyl]formamide
• CAS No.: 14301-36-1
• Molecular Formula: C11H15 N O3
• Molecular Weight: 209.245
• Hs Code.: 2924299090
• European Community (EC) Number: 238-237-9
• NSC Number: 34982
• UNII: FUW3C3X3G3
• DSSTox Substance ID: DTXSID20162290
• Nikkaji Number: J216.954A
• Wikidata: Q83030911
• Mol file: 14301-36-1.mol

Synonyms:N-(3,4-dimethoxyphenethyl)formamide;14301-36-1;n-[2-(3,4-dimethoxyphenyl)ethyl]formamide;[2-(3,4-Dimethoxyphenyl)ethyl]formamide;N-(2-(3,4-Dimethoxyphenyl)ethyl)formamide;NSC34982;FUW3C3X3G3;EINECS 238-237-9;NSC 34982;NSC-34982;AI3-31516;Formamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-;UNII-FUW3C3X3G3;3,4-dimethoxyphenethylformamide;SCHEMBL1032003;DTXSID20162290;MFCD03012208;AKOS000264995;2-(3,4-Dimethoxyphenyl)ethylformamide;CS-0187543;FT-0688592;N-formyl-2(3,4-dimethoxy-phenyl)-ethylamine;N-Formyl-2-(3,4-dimethoxyphenyl)-ethylamine;D97517;EN300-9285638;FORMAMIDE, N-(3,4-DIMETHOXYPHENETHYL)-;1T-0840;A885034;N-FORMYL-2-(3,4-DIMETHOXYPHENYL)ETHYLAMINE;Z1258520969

Chemical Property of n-[2-(3,4-Dimethoxyphenyl)ethyl]formamide

Chemical Property:

• Vapor Pressure: 1.59E-06mmHg at 25°C
• Boiling Point: 397.4°Cat760mmHg
• Flash Point: 194.1°C
• PSA: 47.56000
• Density: 1.084g/cm³
• LogP: 2.01910
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

99.9% ^*data from raw suppliers

N-(3,4-Dimethoxyphenethyl)formamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCNC=O)OC
• Uses: N-(3,4-Dimethoxyphenethyl)formamide is an impurity of Tetrabenazine (T284000), an antipsychotic.

Technology Process of n-[2-(3,4-Dimethoxyphenyl)ethyl]formamide

There total 11 articles about n-[2-(3,4-Dimethoxyphenyl)ethyl]formamide 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: 100.0%

2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) + formic acid ethyl ester (109-94-4) → N-[2-(3,4-dimethoxyphenyl)ethyl]formamide (14301-36-1)

Guidance literature:

at 70 ℃; for 20h;

DOI:10.1016/j.bmcl.2012.01.113

Reference yield: 100.0%

formic acid (64-18-6) + 2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) → N-[2-(3,4-dimethoxyphenyl)ethyl]formamide (14301-36-1)

Guidance literature:

With acetic anhydride; 1.) 60 deg C, 30 min, 2.) 20 deg C, overnight;

DOI:10.1016/S0040-4020(98)00378-0

Reference yield: 100.0%

Methyl formate (107-31-3) + 2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) → N-[2-(3,4-dimethoxyphenyl)ethyl]formamide (14301-36-1)

Guidance literature:

In methanol; for 12h; Ambient temperature;

DOI:10.1016/S0040-4020(01)88589-6

upstream raw materials:

formic acid

2-(3,4-dimethoxyphenyl)-ethylamine

Methyl formate

N,N-dimethyl-formamide

Downstream raw materials:

N-methylhomoveratrylamine

6,7-dimethoxy-3,4-dihydro-isoquinoline

N-Methyl-N-n-propyl-β-(3.4-dimethoxyphenyl)ethylamin

2-(3,4-dimethoxyphenyl)ethyl isocyanide