4-Bromobenzhydrol

Base Information

• Chemical Name: 4-Bromobenzhydrol
• CAS No.: 29334-16-5
• Molecular Formula: C13H11BrO
• Molecular Weight: 263.134
• Hs Code.: 2906299090
• European Community (EC) Number: 249-568-3
• NSC Number: 89817
• DSSTox Substance ID: DTXSID001305142
• Nikkaji Number: J250.819B
• Mol file: 29334-16-5.mol

Synonyms:4-Bromobenzhydrol;(4-bromophenyl)(phenyl)methanol;29334-16-5;p-Bromobenzhydrol;(4-bromophenyl)-phenylmethanol;Benzhydrol, 4-bromo-;4-Bromo-alpha-phenylbenzenemethanol;p-Bromobenzhydryl alcohol;Benzenemethanol, 4-bromo-.alpha.-phenyl-;EINECS 249-568-3;MFCD00016851;Benzenemethanol,4-bromo-a-phenyl-;NSC89817;4-Bromodiphenylmethanol;4-Bromobenzhydryl alcohol;Cambridge id 5101700;NCIOpen2_006363;Phenyl-p-bromophenyl methanol;(4-Bromophenyl)phenylmethanol;SCHEMBL477648;DTXSID001305142;HMS1577K09;2,3-dimercapto-1-propanesulfonicaci;AC7969;NSC 89817;NSC-89817;STK204921;AKOS004908852;Benzenemethanol, 4-bromo-alpha-phenyl-;CS-W012467;DS-9125;SY050366;B4680;FT-0638848;EN300-234106;F15980;A819875;SR-01000195072;J-017479;SR-01000195072-1;4-Bromo-alpha-phenylbenzenemethanol (4-Bromobenzhydrol)

Chemical Property of 4-Bromobenzhydrol

Chemical Property:

• Vapor Pressure: 1.68E-06mmHg at 25°C
• Melting Point: 61 °C
• Refractive Index: 1.625
• Boiling Point: 381.5 °C at 760 mmHg
• PKA: 13.34±0.20(Predicted)
• Flash Point: 184.5 °C
• PSA: 20.23000
• Density: 1.436 g/cm³
• LogP: 3.53080
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• 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% ^*data from raw suppliers

4-Bromo-α-phenylbenzenemethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41-51/53
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)O
• Uses: 4-Bromo-α-phenylbenzenemethanol is used in the synthesis of diarylmethylpiperazines as potent and selective nonpeptidic δ-opioid receptor agonists. Is used in the ysnthesis of bronsted acid-catalyzed benzylation of 1,3-dicarbonyl derivatives.

Technology Process of 4-Bromobenzhydrol

There total 53 articles about 4-Bromobenzhydrol 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%

(4-bromophenyl)(phenyl)methanone (90-90-4) → phenyl(4-bromophenyl)methanol (29334-16-5)

Guidance literature:

With sodium tetrahydroborate; for 120h; Ambient temperature;

Reference yield: 94.0%

4-bromo-benzaldehyde (1122-91-4) + phenylmagnesium bromide (100-58-3) → phenyl(4-bromophenyl)methanol (29334-16-5)

Guidance literature:

In tetrahydrofuran; at -20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1134/S107042801810010X

Reference yield: 94.0%

4-bromo-benzaldehyde (1122-91-4) + potassium phenyltrifluoborate → phenyl(4-bromophenyl)methanol (29334-16-5)

Guidance literature:

With tri-tert-butyl phosphine; chlorobis(ethylene)rhodium(I) dimer; In water; toluene; at 60 ℃;

DOI:10.1039/b506245d

upstream raw materials:

(4-bromophenyl)(phenyl)methanone

2,4,6-tribromo-benzophenone

benzaldehyde

(4-bromophenyl)magnesium bromide

Downstream raw materials:

2-[(4-bromophenyl)(phenyl)methyl]-5-methylfuran

(4-bromophenyl)(phenyl)methanone

(4-Bromo-phenyl)-phenyl-methanol

4-Brombenzhydrylkation