(3-Hydroxy-phenyl)-carbamic acid isopropyl ester

Base Information

• Chemical Name: (3-Hydroxy-phenyl)-carbamic acid isopropyl ester
• CAS No.: 2610-61-9
• Molecular Formula: C10H13 N O3
• Molecular Weight: 195.22
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID40574417
• Nikkaji Number: J3.139.556I
• Wikidata: Q82463447
• Mol file: 2610-61-9.mol

Synonyms:2610-61-9;(3-HYDROXY-PHENYL)-CARBAMIC ACID ISOPROPYL ESTER;Isopropyl 3-hydroxyphenylcarbamate;Carbamic acid, (3-hydroxyphenyl)-, 1-methylethyl ester (9CI);SCHEMBL10749929;DTXSID40574417;RDJINQKTEPNHJP-UHFFFAOYSA-N;AKOS011070093;Propan-2-yl (3-hydroxyphenyl)carbamate;propan-2-yl N-(3-hydroxyphenyl)carbamate;(3-Hydroxyphenyl)carbamic acid 1-methylethyl ester;(3-HYDROXY-PHENYL)-CARBAMICACIDISOPROPYLESTER;Carbamic acid,(3-hydroxyphenyl)-,1-methylethyl ester(9ci)

Chemical Property of (3-Hydroxy-phenyl)-carbamic acid isopropyl ester

Chemical Property:

• Melting Point: 78-80 °C
• Boiling Point: 276.3±23.0 °C(Predicted)
• PKA: 9.80±0.10(Predicted)
• PSA: 58.56000
• Density: 1.214±0.06 g/cm3(Predicted)
• LogP: 2.42210
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

(3-HYDROXY-PHENYL)-CARBAMIC ACID ISOPROPYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)NC1=CC(=CC=C1)O

Technology Process of (3-Hydroxy-phenyl)-carbamic acid isopropyl ester

There total 3 articles about (3-Hydroxy-phenyl)-carbamic acid isopropyl ester 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: 70.0%

CHLORPROPHAM (101-21-3) → isopropyl 3-hydroxycarbanilate (2610-61-9)

Guidance literature:

In water; at 20 ℃; Kinetics; Quantum yield; UV-irradiation;

DOI:10.1016/S0043-1354(97)00477-6

Reference yield:

isopropyl chloroformate (108-23-6) + m-Hydroxyaniline (591-27-5) → isopropyl 3-hydroxycarbanilate (2610-61-9)

Guidance literature:

Reference yield:

→ isopropyl 3-hydroxycarbanilate (2610-61-9)

Guidance literature:

aus Isopropyl-3-chlorcarbanilat, H2O (Photolyse);

DOI:10.1021/jf60215a026

upstream raw materials:

isopropyl chloroformate

m-Hydroxyaniline

CHLORPROPHAM

Downstream raw materials:

C₁₈H₂₀N₂O₄

C₁₇H₁₇FN₂O₄

(3-Bromo-4-fluoro-phenyl)-carbamic acid 3-isopropoxycarbonylamino-phenyl ester