phenyl N-isopropylcarbamate

Base Information

• Chemical Name: phenyl N-isopropylcarbamate
• CAS No.: 17614-10-7
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.219
• Hs Code.: 2924299090
• NSC Number: 190576
• DSSTox Substance ID: DTXSID40307262
• Nikkaji Number: J1.653.068I
• Wikidata: Q82054630
• Mol file: 17614-10-7.mol

Synonyms:17614-10-7;phenyl N-isopropylcarbamate;phenyl N-(propan-2-yl)carbamate;(1-Methylethyl)carbamic Acid Phenyl Ester;phenyl N-propan-2-ylcarbamate;Phenyl Isopropylcarbamate;NSC190576;PhenylIsopropylcarbamate;Maybridge3_000476;Carbamic acid, (1-methylethyl)-, phenyl ester;phenyl N-(2-propyl)carbamate;SCHEMBL1895598;DTXSID40307262;RJUVFGTVVVYSFK-UHFFFAOYSA-N;HMS1432F14;MFCD00276276;AKOS008927305;CK-0214;NSC-190576;IDI1_011863;CS-0448471;FT-0671773

Chemical Property of phenyl N-isopropylcarbamate

Chemical Property:

• Vapor Pressure: 0.0276mmHg at 25°C
• Boiling Point: 246.1°Cat760mmHg
• Flash Point: 102.7°C
• PSA: 38.33000
• Density: 1.058g/cm³
• LogP: 2.57430
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

(1-Methylethyl)carbamicAcidPhenylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC(=O)OC1=CC=CC=C1
• Uses: Intermediate in the preparation of Torsemide metabolites.

Technology Process of phenyl N-isopropylcarbamate

There total 8 articles about phenyl N-isopropylcarbamate 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%

Isopropyl isocyanate (1795-48-8) + phenol (108-95-2,27073-41-2) → phenyl N-isopropylcarbamate (17614-10-7)

Guidance literature:

With triethylamine; In dichloromethane; at 23 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jo9020166

Reference yield: 97.0%

phenyl Salicylate (118-55-8) + Isopropyl isocyanate (1795-48-8) → phenyl N-isopropylcarbamate (17614-10-7) + 3-Isopropyl-benzo[e][1,3]oxazine-2,4-dione (159977-54-5)

Guidance literature:

With dmap; triethylamine; In N,N-dimethyl-formamide; for 45h; Ambient temperature;

DOI:10.1016/S0040-4039(98)00223-8

Reference yield: 80.6%

isopropylamine (75-31-0) + phenyl chloroformate (1885-14-9) → phenyl N-isopropylcarbamate (17614-10-7)

Guidance literature:

isopropylamine; phenyl chloroformate; In n-heptane; at 0 - 4 ℃; for 1h;

In n-heptane; water; at 0 - 70 ℃;

upstream raw materials:

isopropylamine

phenyl chloroformate

Isopropyl isocyanate

phenol

Downstream raw materials:

O-2-trimethylsilylphenyl N-isopropylcarbamate

N-(isopropylcarbamoyl)-4-methylbenzenesulfonamide

4-chloro-N-(isopropylcarbamoyl)benzenesulfonamide

o-((trimethylsilyl)ethynyl)phenol