3-Bromo-4-(bromomethyl)benzenemethanol

Base Information

• Chemical Name: 3-Bromo-4-(bromomethyl)benzenemethanol
• CAS No.: 866721-93-9
• Molecular Formula: C₈H₈Br₂O
• Molecular Weight: 279.959
• DSSTox Substance ID: DTXSID901285050
• Mol file: 866721-93-9.mol

Synonyms:3-Bromo-4-(bromomethyl)benzenemethanol;866721-93-9;DTXSID901285050

Chemical Property of 3-Bromo-4-(bromomethyl)benzenemethanol

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 279.89214
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CO)Br)CBr

Technology Process of 3-Bromo-4-(bromomethyl)benzenemethanol

There total 3 articles about 3-Bromo-4-(bromomethyl)benzenemethanol 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: 69.0%

3-bromo-4-(bromomethyl)benzoic acid (866721-92-8) → [3-bromo-4-(bromomethyl)phenyl]methanol (866721-93-9)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 20 ℃; for 1.5h;

DOI:10.1021/jo051202m

Reference yield:

methyl 3-bromo-4-methylbenzoate (104901-43-1) → [3-bromo-4-(bromomethyl)phenyl]methanol (866721-93-9)

Guidance literature:

methyl 3-bromo-4-methylbenzoate; With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; at 80 ℃; for 10h;

With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 0.5h; Further stages.;

DOI:10.1021/ja028249z

Reference yield:

3-bromo-4-methylbenzoic acid (7697-26-9) → [3-bromo-4-(bromomethyl)phenyl]methanol (866721-93-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / N-bromosuccinimide; 2,2'-azobis(isobutyronitrile) / CCl₄ / 1 h / Heating

2: 69 percent / BH₃*THF / tetrahydrofuran / 1.5 h / 20 °C

With N-Bromosuccinimide; borane-THF; 2,2'-azobis(isobutyronitrile); In tetrahydrofuran; tetrachloromethane;

DOI:10.1021/jo051202m

upstream raw materials:

methyl 3-bromo-4-methylbenzoate

3-bromo-4-(bromomethyl)benzoic acid

3-bromo-4-methylbenzoic acid

Downstream raw materials:

[3-bromo-4-[(1-pyrrolidinyl)methyl]phenyl]methanol

[3-bromo-4-[(1-piperidinyl)methyl]phenyl]methanol

[3-bromo-4-[(N,N-dibutylamino)methyl]phenyl]methanol

[3-bromo-4-[(dimethylamino)methyl]phenyl]methanol