Diphenan

Base Information

• Chemical Name: Diphenan
• CAS No.: 101-71-3
• Molecular Formula: C14H13 N O2
• Molecular Weight: 227.263
• Hs Code.: 2924299090
• European Community (EC) Number: 622-919-1
• NSC Number: 60023
• UNII: U129BBY8DB
• DSSTox Substance ID: DTXSID4046234
• Nikkaji Number: J4.994H
• Wikidata: Q27290543
• NCI Thesaurus Code: C65420
• ChEMBL ID: CHEMBL608856
• Mol file: 101-71-3.mol

Synonyms:Diphenan;Carbaurine;Carphenol;Diphenane;Parabencil;Butolan;Butolen;Oxybulan;Palafuge;101-71-3;p-Benzylphenyl carbamate;(4-benzylphenyl) carbamate;Diphenanum;Parabencilfenol;Difenano;Diphenan [INN:DCF];Difenano [INN-Spanish];Diphenane [INN-French];Diphenanum [INN-Latin];Diphenan (pharmaceutical);Parabencilfenol [Spanish];(4-benzylphenyl)carbamate;.alpha.-Phenyl-p-cresol carbamate;GNF-Pf-1544;4-(Phenylmethyl)phenol carbamate;Diphenan, pharmaceutical;4-Benzylphenyl carbamate;p-Cresol, alpha-phenyl-, carbamate;NSC-60023;UNII-U129BBY8DB;Phenol, 4-(phenylmethyl)-, carbamate;BRN 3295222;difenan;U129BBY8DB;alpha-Phenyl-p-cresol carbamate;DTXSID4046234;NCGC00160564-01;p-Hydroxydiphenylmethane carbamic acid ester;Carbamic acid, .alpha.-phenyl-p-tolyl ester;3-06-00-03360 (Beilstein Handbook Reference);Phenol, carbamate;p-Cresol, carbamate;Diphenan [DCF:INN];DIPHENAN [INN];DIPHENANE [MI];SCHEMBL667724;CHEMBL608856;DTXCID2026234;CHEBI:134933;NSC60023;Tox21_111903;NSC 60023;AKOS024332138;p-Cresol, .alpha.-phenyl-, carbamate;CAS-101-71-3;LS-105063;SR-01000945032;SR-01000945032-1;Q27290543

Chemical Property of Diphenan

Chemical Property:

• Vapor Pressure: 1.09E-06mmHg at 25°C
• Melting Point: 147-150°
• Refractive Index: 1.5780 (estimate)
• Boiling Point: 402.6°Cat760mmHg
• Flash Point: 197.8°C
• PSA: 52.32000
• Density: 1.173g/cm³
• LogP: 3.43520
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 227.094628657
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-BENZYLPHENYL CARBAMATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)OC(=O)N

Technology Process of Diphenan

There total 2 articles about Diphenan 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: 50.0%

p-benzylphenol (101-53-1) + urea (57-13-6) → 4-benzylphenyl carbamate (101-71-3)

Guidance literature:

With cholin chloride ZnCl₂; iron oxide; at 130 ℃; for 6h; Green chemistry;

DOI:10.1002/ejoc.201800581

Reference yield:

phosgene (75-44-5) + p-benzylphenol (101-53-1) → 4-benzylphenyl carbamate (101-71-3)

Guidance literature:

With 2,3-Dimethylaniline; benzene; Behandeln des entstandenen Chlorameisensaeureesters mit Ammoniak;

upstream raw materials:

phosgene

p-benzylphenol

urea

Refernces