3-Bromobenzyl alcohol

Base Information

• Chemical Name: 3-Bromobenzyl alcohol
• CAS No.: 15852-73-0
• Molecular Formula: C7H7BrO
• Molecular Weight: 187.036
• Hs Code.: 29062900
• European Community (EC) Number: 239-975-4
• DSSTox Substance ID: DTXSID70166440
• Nikkaji Number: J278J
• Wikidata: Q72451892
• ChEMBL ID: CHEMBL2323842
• Mol file: 15852-73-0.mol

Synonyms:3-Bromobenzyl alcohol;15852-73-0;(3-Bromophenyl)methanol;m-Bromobenzyl alcohol;Benzenemethanol, 3-bromo-;3-Bromobenzylalcohol;MFCD00004629;EINECS 239-975-4;m-bromobenzylalcohol;3-bromophenylmethanol;3-Bromobenzenemethanol;3-bromophenyl-methanol;3-bromo benzyl alcohol;3- bromophenyl-methanol;(3-bromophenyl)-methanol;(3-Bromophenyl)methanol #;SCHEMBL93041;3-Bromobenzyl alcohol, 99%;CHEMBL2323842;DTXSID70166440;AB6445;AKOS000249368;AM81354;CS-W007761;PS-5312;AC-26170;SY004527;FT-0615209;EN300-106719;J-512096;Z335244752

Chemical Property of 3-Bromobenzyl alcohol

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 0.00118mmHg at 25°C
• Melting Point: 110-112 °C
• Refractive Index: n20/D 1.584(lit.)
• Boiling Point: 287.2 °C at 760 mmHg
• PKA: 14.28±0.10(Predicted)
• Flash Point: 115.7 °C
• PSA: 20.23000
• Density: 1.565 g/cm³
• LogP: 1.94140
• Storage Temp.: Store below +30°C.
• Water Solubility.: Slightly soluble in water
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 185.96803
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

3-Bromobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)CO
• Uses: 3-Bromobenzyl alcohol was employed in the preparation of tert-butyl 3-(3-bromophenyl)-2-cyanopropanoate and silyl ether.

Technology Process of 3-Bromobenzyl alcohol

There total 24 articles about 3-Bromobenzyl alcohol 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: 99.8%

m-bromobenzoic aldehyde (3132-99-8) → (3-Bromophenyl)methanol (15852-73-0)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 - 25 ℃;

Reference yield: 96.0%

ethyl 3-bromobenzoate (24398-88-7) → (3-Bromophenyl)methanol (15852-73-0)

Guidance literature:

With lithium borohydride; In tetrahydrofuran; toluene; at 100 ℃; for 0.5h;

DOI:10.1021/jo00145a018

Reference yield: 96.0%

m-bromobenzoic acid (585-76-2) → (3-Bromophenyl)methanol (15852-73-0)

Guidance literature:

With zinc borohydride pyridine complex; In tetrahydrofuran; for 3h; Heating;

upstream raw materials:

methanol

tetrachloromethane

m-bromobenzoic aldehyde

3-bromobenzamide

Downstream raw materials:

m-bromobenzoic aldehyde

3-(Hydroxymethyl)benzoic acid

3-bromobenzyl chloride

5,12-dihydro-5,12-bis<3-(hydroxymethyl)phenyl>-6,11-diphenyl-5,12-naphthacenediol

Refernces

• 1、 Rayati, Saeed,Bohloulbandi, Elaheh,Zakavi, Saeed. "Manganese(III) porphyrin anchored onto multiwall carbon nanotubes: An efficient and reusable catalyst for the heterogeneous reduction of aldehydes and ketones". . p. 638 - 649. Retrieved 2016.
• 2、 Shibagaki, Makoto,Kuno, Hideyuki,Takahashi, Kyoko,Matsushita, Hajime. "The Hammett Relationship in the Reduction of Aldehydes with 2-Propanol by Catalysis with Hydrous Zirconium Oxide". . p. 4153 - 4154. Retrieved 1988.
• 3、 Wang, Rongzhou,Yue, Yuancheng,Qi, Jipeng,Liu, Shiyuan,Song, Ao,Zhuo, Shuping,Xing, Ling-Bao. "Ambient-pressure highly active hydrogenation of ketones and aldehydes catalyzed by a metal-ligand bifunctional iridium catalyst under base-free conditions in water". . p. 1 - 7. Retrieved 2021/05/17.
• 4、 Yagiz, Güler,Noma, Samir Abbas Ali,Altundas, Aliye,Al-khafaji, Khattab,Taskin-Tok, Tugba,Ates, Burhan. "Synthesis, inhibition properties against xanthine oxidase and molecular docking studies of dimethyl N-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate and (N-benzyl-1H-1,2,3-triazole-4,5-diyl)dimethanol derivatives". . . Retrieved 2021/01/28.