N-(1-Phenylethyl)formamide

Base Information

• Chemical Name: N-(1-Phenylethyl)formamide
• CAS No.: 6948-01-2
• Molecular Formula: C9H11NO
• Molecular Weight: 149.192
• Hs Code.: 2924299090
• European Community (EC) Number: 230-112-7
• NSC Number: 55889
• DSSTox Substance ID: DTXSID101343793
• Nikkaji Number: J265.983B
• Mol file: 6948-01-2.mol

Synonyms:N-(1-Phenylethyl)formamide;6948-01-2;1-Phenylethylformamide;N-formyl-1-phenylethylamine;Formamide, N-(1-phenylethyl)-;N-(.alpha.-Methylbenzyl)-formamide;NSC55889;starbld0029627;1-Phenylethylformamide #;N-(1-phenyl-ethyl)-formamide;SCHEMBL1911373;N-(alpha-Methylbenzyl)formamide;DTXSID101343793;EINECS 230-112-7;NSC 55889;NSC-55889;STK370095;AKOS005445487;FT-0658021

Chemical Property of N-(1-Phenylethyl)formamide

Chemical Property:

• Vapor Pressure: 0.000442mmHg at 25°C
• Melting Point: 48.5 °C
• Refractive Index: 1.519
• Boiling Point: 315.3 °C at 760 mmHg
• PKA: 15.51±0.23(Predicted)
• Flash Point: 182.6 °C
• PSA: 29.10000
• Density: 1.024 g/cm³
• LogP: 2.52040
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

1-PHENYLETHYLFORMAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(1-Phenylethyl)formamide

There total 46 articles about N-(1-Phenylethyl)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%

rac-methylbenzylamine (618-36-0) + formic acid ethyl ester (109-94-4) → N-formyl-α-methylbenzylamine (6948-01-2)

Guidance literature:

for 8h; Reflux;

Reference yield: 99.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + rac-methylbenzylamine (618-36-0) → N-formyl-α-methylbenzylamine (6948-01-2)

Guidance literature:

N,N-dimethyl-formamide; With bis(2-chlorophenyl)borinic acid; acetic acid; at 65 ℃; for 0.25h; Inert atmosphere;

rac-methylbenzylamine; at 65 ℃; for 12h; Inert atmosphere;

DOI:10.1002/chem.201600234

Reference yield: 96.0%

C12H13N3O (1217846-28-0,151252-80-1) → N-formyl-α-methylbenzylamine (6948-01-2)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; water; at 20 ℃;

DOI:10.1016/j.tetlet.2017.04.072

upstream raw materials:

acetophenone oxime

formic acid

formamide

acetophenone

Downstream raw materials:

acetophenone

N-(1-Phenylethyl)-N-n-butylformamid

N-methyl-N-(1-phenylethyl)amine

1-phenylethyl isocyanide