(r)-(4-Bromophenyl)(phenyl)methanol

Base Information

• Chemical Name: (r)-(4-Bromophenyl)(phenyl)methanol
• CAS No.: 2955-37-5
• Molecular Formula: C15H10Cl2N2O2
• Molecular Weight: 321.163
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30952043
• Nikkaji Number: J1.458.159F
• Mol file: 2955-37-5.mol

Synonyms:(r)-(4-bromophenyl)(phenyl)methanol;SCHEMBL3858148;DTXSID30952043

Chemical Property of (r)-(4-Bromophenyl)(phenyl)methanol

Chemical Property:

• Vapor Pressure: 6.91E-10mmHg at 25°C
• Refractive Index: 1.678
• Boiling Point: 476.5oC at 760 mmHg
• Flash Point: 242oC
• PSA: 57.85000
• Density: 1.49 g/cm³
• LogP: 3.39000
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 261.99933
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

99.9% ^*data from raw suppliers

7-Chloro-5-(2-chloro-phenyl)-4-oxy-1,3-dihydro-benzo[e][1,4]diazepin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)O
• Isomeric SMILES: C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Br)O
• Uses: Delorazepam 4-Oxide is an N-oxide of Delorazepam (D230675) and an intermediate in the synthesis of Lorazepam (L469850).

Technology Process of (r)-(4-Bromophenyl)(phenyl)methanol

There total 3 articles about (r)-(4-Bromophenyl)(phenyl)methanol 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: 87.66%

delorazepam (2894-67-9) → 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-one-4-oxide (2955-37-5)

Guidance literature:

With dihydrogen peroxide; In N,N-dimethyl acetamide; at 40 - 65 ℃; for 9.5h; Solvent;

Reference yield:

(2-amino-5-chloro-phenyl)-(2-chloro-phenyl)-methanone (2958-36-3,53960-29-5) → 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-one-4-oxide (2955-37-5)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / ethyl acetate / 1 h / 10 - 20 °C / Cooling with ice

2: hexamethylenetetramine; ammonium acetate / ethanol / 3 h / Reflux

3: dihydrogen peroxide; acetic acid / 4 h / 65 - 80 °C

With hexamethylenetetramine; ammonium acetate; dihydrogen peroxide; potassium carbonate; acetic acid; In ethanol; ethyl acetate;

Reference yield:

→ 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-one-4-oxide (2955-37-5)

Guidance literature:

Aus entspr. Enamin;

upstream raw materials:

(2-amino-5-chloro-phenyl)-(2-chloro-phenyl)-methanone

delorazepam

Downstream raw materials:

Re(CO)2(P(C₆H₅)3)2(C₁₅H₉Cl₂N₂O₂)

7-chloro-5-(2-chloro-phenyl)-3-fluoro-1,3-dihydro-benzo[e][1,4]diazepin-2-one

3-Fluoro-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one

lorazepam