2-Bromo-1,3-propanediol

Base Information

• Chemical Name: 2-Bromo-1,3-propanediol
• CAS No.: 4704-87-4
• Molecular Formula: C3H7BrO2
• Molecular Weight: 154.991
• DSSTox Substance ID: DTXSID40436849
• Nikkaji Number: J40.454C
• Wikidata: Q82252186
• Mol file: 4704-87-4.mol

Synonyms:2-Bromo-1,3-propanediol;4704-87-4;2-bromopropane-1,3-diol;Glycerol beta-bromohydrin;2-Bromo-1,3-propanediol-d4;Glycerol |A-Bromohydrin;2-bromo-1 ,3-propanediol;SCHEMBL3419520;DTXSID40436849;FT-0663850;FT-0663851

Chemical Property of 2-Bromo-1,3-propanediol

Chemical Property:

• Boiling Point: 136-138 °C(Press: 21 Torr)
• PKA: 13.57±0.10(Predicted)
• PSA: 40.46000
• Density: 1.7868 g/cm3
• LogP: -0.26550
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 153.96294
• Heavy Atom Count: 6
• Complexity: 28

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-1,3-propanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(CO)Br)O
• Uses: 2-Bromo-1,3-propanediol is used for isolating bases by means of Reinecke's salt.

Technology Process of 2-Bromo-1,3-propanediol

There total 7 articles about 2-Bromo-1,3-propanediol 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:

allyl alcohol (107-18-6) → 1-bromo-2,3-propanediol (4704-77-2) + 2-bromo-1,3-propanediol (4704-87-4) + 2,3-Dibromopropan-1-ol (96-13-9) + 2-bromo-3-chloro-propan-1-ol (73727-39-6)

Guidance literature:

With seawater; dihydrogen peroxide; bromoperoxidase; for 0.25h; Product distribution; Ambient temperature;

DOI:10.1016/S0031-9422(00)80319-2

Reference yield:

allyl alcohol (107-18-6) → 2-bromo-1,3-propanediol (4704-87-4) + 2,3-Dibromopropan-1-ol (96-13-9)

Guidance literature:

With air; water; bromine;

Reference yield:

allyl alcohol (107-18-6) → 2-bromo-1,3-propanediol (4704-87-4) + 2,3-Dibromopropan-1-ol (96-13-9)

Guidance literature:

upstream raw materials:

allyl alcohol

S-(-)-2,2'-dinitrobiphenyl-6,6'-dicarbonsaeure-diallylester

bromine

water

Downstream raw materials:

triacetylglycerol

bromoacetic acid

glycerol

acrolein

Refernces

• 1、 Geigert, John,Neidleman, Saul L.,Witt, Susanne K. de,Dalietos, Demetrios J.. "HALONIUM ION-INDUCED BIOSYNTHESIS OF CHLORINATED MARINE METABOLITES". . p. 287 - 290. Retrieved 2007/10/02.