Phenyl dimethylcarbamate

Base Information

• Chemical Name: Phenyl dimethylcarbamate
• CAS No.: 6969-90-0
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2924299090
• European Community (EC) Number: 623-481-4
• NSC Number: 79876,68654
• DSSTox Substance ID: DTXSID30219981
• Nikkaji Number: J1.582.918D
• Wikidata: Q83097040
• ChEMBL ID: CHEMBL2288696
• Mol file: 6969-90-0.mol

Synonyms:Phenyl dimethylcarbamate;6969-90-0;Phenyl N,N-dimethylcarbamate;DIMETHYL-CARBAMIC ACID PHENYL ESTER;N N-DIMETHYLPHENYL CARBAMATE;N,N-Dimethylphenylcarbamate;N,N-Dimethylphenyl carbamate;MFCD00025669;Carbamic acid, dimethyl-, phenyl ester;CARBAMIC ACID,N,N-DIMETHYL-, PHENYL ESTER;WLN: 1N1&VOR;Phenyldimethylcarbamate;NCIOpen2_000405;NCIOpen2_000830;Phenyl-n,n-dimethyl carbamate;SCHEMBL491227;CHEMBL2288696;NIOSH/FA2982500;DTXSID30219981;Dimethylcarbamic acid phenyl ester;NSC68654;NSC79876;NSC 68654;NSC 79876;NSC-68654;NSC-79876;STL136082;AKOS005745357;TL-1113;BS-51412;LS-49622;CS-0151341;FA29825000;FT-0636321;D83494;6658-63-5

Chemical Property of Phenyl dimethylcarbamate

Chemical Property:

• Vapor Pressure: 0.0534mmHg at 25°C
• Melting Point: 44-45 °C
• Refractive Index: 1.521
• Boiling Point: 234.3 °C at 760 mmHg
• PKA: -1?+-.0.70(Predicted)
• Flash Point: 95.5 °C
• PSA: 29.54000
• Density: 1.095 g/cm³
• LogP: 1.74700
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

N,N-DimethylphenylCarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C(=O)OC1=CC=CC=C1

Technology Process of Phenyl dimethylcarbamate

There total 13 articles about Phenyl dimethylcarbamate 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: 88.0%

N,N-Dimethylcarbamidsaeure-trimethylsilylester (32115-55-2) + phenyl chloroformate (1885-14-9) → phenyl N,N-dimethylcarbamate (6969-90-0)

Guidance literature:

In acetonitrile; at 60 ℃; for 0.5h;

DOI:10.1016/0022-328X(94)88199-5

Reference yield: 82.0%

N,N-Dimethylcarbamoyl chloride (79-44-7) + phenol (108-95-2,27073-41-2) → phenyl N,N-dimethylcarbamate (6969-90-0)

Guidance literature:

phenol; With pyridine; potassium carbonate; In acetonitrile; for 0.333333h;

N,N-Dimethylcarbamoyl chloride; In acetonitrile; for 2h;

Reference yield: 75.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + phenol (108-95-2,27073-41-2) → phenyl N,N-dimethylcarbamate (6969-90-0)

Guidance literature:

With tert.-butylhydroperoxide; 4,7-dimethoxy-1,10-phenanthroline; iron(II) bromide; In decane; at 60 ℃; for 4h; Reagent/catalyst; Inert atmosphere; Molecular sieve;

DOI:10.1080/00397911.2021.2017459

upstream raw materials:

benzene

phenol

N,N-Dimethylcarbamoyl chloride

dimethyl amine

Downstream raw materials:

2-benzoylphenyl dimethylcarbamate

2,6-dibenzoylphenyl dimethylcarbamate

1,2-phenylene bis(dimethylcarbamate)

3-hydroxy-1,2-phenylene bis(dimethylcarbamate)

Refernces

• 1、 Adurthi, Suryakumari,Sudhakar, Chithaluri,Vala, Manoj Kumar,Vanam, Shekhar. "The synthesis of phenyl carbamates catalyzed by iron (II) bromide: An oxidative approach for cross-coupling of phenols with formamides". . . Retrieved 2021/12/30.
• 2、 -. "Synthesizing method of multi-aryl substituted naphthol derivate". Paragraph 0033; 0034; 0035; 0036. . Retrieved 2017/12/27.