3-Bromo-2-(bromomethyl)propan-1-ol

Base Information

• Chemical Name: 3-Bromo-2-(bromomethyl)propan-1-ol
• CAS No.: 106023-63-6
• Molecular Formula: C4H8 Br2 O
• Molecular Weight: 231.91
• Hs Code.: 2905590090
• DSSTox Substance ID: DTXSID00562118
• Nikkaji Number: J2.668.131F
• Wikidata: Q82446130
• Mol file: 106023-63-6.mol

Synonyms:106023-63-6;3-bromo-2-(bromomethyl)propan-1-ol;1-BROMO-2-BROMOMETHYL-3-HYDROXY-PROPANE;1-Propanol,3-bromo-2-(bromomethyl)-;1-Propanol, 3-bromo-2-(bromomethyl)-;(BrCH2)2CHCH2OH;SCHEMBL8191098;DTXSID00562118;ZWDCXRWHPBYVKX-UHFFFAOYSA-N

Chemical Property of 3-Bromo-2-(bromomethyl)propan-1-ol

Chemical Property:

• Melting Point: 40-41 °C
• Boiling Point: 276.6±30.0 °C(Predicted)
• PKA: 14.22±0.10(Predicted)
• PSA: 20.23000
• Density: 1.951±0.06 g/cm3(Predicted)
• LogP: 1.38470
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 231.89214
• Heavy Atom Count: 7
• Complexity: 36.7

Purity/Quality:

99% ^*data from raw suppliers

1-BROMO-2-BROMOMETHYL-3-HYDROXY-PROPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CBr)CBr)O

Technology Process of 3-Bromo-2-(bromomethyl)propan-1-ol

There total 2 articles about 3-Bromo-2-(bromomethyl)propan-1-ol 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: 96.0%

3-bromo-2-(bromomethyl)propionic acid (41459-42-1) → 3-bromo-2-bromomethyl-propan-1-ol (106023-63-6)

Guidance literature:

With diborane; In dichloromethane; 1.) 0 deg C, 1 h; 2.) room temp., overnight;

DOI:10.1016/S0008-6215(00)90079-X

Reference yield:

methyl 3-bromo-2-(bromomethyl)propionate (22262-60-8) → 3-bromo-2-bromomethyl-propan-1-ol (106023-63-6)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at -70 - 0 ℃; for 0.75h; Inert atmosphere;

Reference yield: 75.0%

3-bromo-2-bromomethyl-propan-1-ol (106023-63-6) + 1,6-di-O-acetyl-2-O-benzoyl-3-deoxy-3-C-methyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-D-glucopyranose (127542-74-9,127542-82-9) → 3-bromo-2-(bromomethyl)propyl 6-O-acetyl-3-deoxy-3C-methyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranoside (127542-22-7)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; for 12h; Ambient temperature;

DOI:10.1021/jo00299a044

upstream raw materials:

3-bromo-2-(bromomethyl)propionic acid

methyl 3-bromo-2-(bromomethyl)propionate

Downstream raw materials:

3-bromo-2-(bromomethyl)propyl 2,3,6-tri-O-benzoyl-4-O-<6-O-acetyl-2,3-di-O-benzoyl-4-O-(2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl)-β-D-galactopyranosyl>-β-D-glucopyranoside

3-bromo-2-(bromomethyl)propyl 6-O-acetyl-3-deoxy-3C-methyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranoside