1,3-Dibromo-2-propanol

Base Information

• Chemical Name: 1,3-Dibromo-2-propanol
• CAS No.: 96-21-9
• Deprecated CAS: 41638-27-1
• Molecular Formula: C3H6 Br2 O
• Molecular Weight: 217.888
• Hs Code.: 29055900
• European Community (EC) Number: 202-489-8
• NSC Number: 636
• UNII: 4L2X3X1FPT
• DSSTox Substance ID: DTXSID8059130
• Nikkaji Number: J3.963B
• Wikidata: Q27893167
• Mol file: 96-21-9.mol

Synonyms:1,3-DBP;1,3-dibromo-2-propanol

Chemical Property of 1,3-Dibromo-2-propanol

Chemical Property:

• Appearance/Colour: Amber liquid.
• Vapor Pressure: 0.00546mmHg at 25°C
• Melting Point: 103-106 °C
• Refractive Index: n20/D 1.552(lit.)
• Boiling Point: 194.3°Cat760mmHg
• PKA: 12.46±0.20(Predicted)
• Flash Point: 46 ºC
• PSA: 20.23000
• Density: 2.13
• LogP: 1.13710
• Storage Temp.: Refrigerator
• Water Solubility.: soluble
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 217.87649
• Heavy Atom Count: 6
• Complexity: 28

Purity/Quality:

1,3-dibromo-2-Propanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,T
• Statements: 10-36/37/38-40-68-24/25-25
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(CBr)O)Br
• Uses: 1,3-Dibromo-2-propanol may be used in the following studies:To prepare the thioether ligand, used in the synthesis of palladium-phosphorus/sulfur nanoparticles.Preparation of 2-(alkoxy)propenyl bromide.Synthesis of 1,3-propanediamine derivatives connected to carbohydrates (sugar-pendant diamines).Chemical crosslinking of nine single substitution cysteine mutants of staphylococcal nuclease.Preparation of 1,3-dinitrooxy-2-propanol, via reaction with AgNO3 in MeCN at 80°C.

Technology Process of 1,3-Dibromo-2-propanol

There total 18 articles about 1,3-Dibromo-2-propanol 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: 93.0%

(2-bromo-1-bromomethylethoxymethyl)benzene (35995-55-2) → 1,3-dibromo-2-hydroxypropane (96-21-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 4h; under 2585.81 Torr;

DOI:10.1016/j.bioorg.2005.06.001

Reference yield: 91.0%

carbon dioxide (124-38-9,18923-20-1) + 1-bromo-3-phenoxy-propan-2-ol (140428-44-0,140630-35-9,140630-39-3,95302-24-2) + 1,2-Epoxy-3-bromopropane (3132-64-7,82584-73-4) → 4-(phenoxy)methyl-1,3-dioxolane-2-one (4437-83-6) + 1,3-dibromo-2-hydroxypropane (96-21-9)

Guidance literature:

1-bromo-3-phenoxy-propan-2-ol; 1,2-Epoxy-3-bromopropane; With C₁₈H₂₃N₂O₄⁽¹⁺⁾*Br^(1-); at 60 ℃; for 2h; Autoclave;

carbon dioxide; at 60 ℃; for 4h; under 7500.75 Torr; Autoclave;

DOI:10.1002/ejoc.201601315

Reference yield: 89.0%

1,2-Epoxy-3-bromopropane (3132-64-7,82584-73-4) → 2,3-Dibromopropan-1-ol (96-13-9) + 1,3-dibromo-2-hydroxypropane (96-21-9)

Guidance literature:

1,2-Epoxy-3-bromopropane; In dichloromethane; at 20 ℃; for 0.25h;

With water; In dichloromethane; Further stages.;

DOI:10.1071/CH06408

upstream raw materials:

glycerol

1,2-Epoxy-3-bromopropane

mono-(+)-2,3-Dibromopropylamine d-tartrate salt

hydrogen bromide

Downstream raw materials:

1,3-bispiperidin-1-ylpropan-2-ol

3,3'-dibromo-1,1'-(2-hydroxy-propanediyl)-bis-pyridinium; dibromide

4-methyl-benzoic acid-(β,β'-dibromo-isopropyl ester)

1,3-dibromo-2-chloro-propane

Refernces

• 1、 -. "Preparation method of 3-hydrazino-5-morpholinomethyl-2-oxazolidinone". Paragraph 0093-0094. . Retrieved 2020/07/12.
• 2、 Wu, Shi,Zhang, Yongya,Wang, Binshen,Elageed, Elnazeer H. M.,Ji, Liangzheng,Wu, Haihong,Gao, Guohua. "Synthesis of Functionalized Cyclic Carbonates by One-Pot Reactions of Carbon Dioxide, Epibromohydrin, and Phenols, Thiophenols, or Carboxylic Acids Catalyzed by Ionic Liquids". supporting information. p. 753 - 759. Retrieved 2017/02/05.