2-Bromo-1,1,3-trimethoxypropane

Base Information

• Chemical Name: 2-Bromo-1,1,3-trimethoxypropane
• CAS No.: 759-97-7
• Deprecated CAS: 167386-77-8
• Molecular Formula: C6H13 Br O3
• Molecular Weight: 213.071
• European Community (EC) Number: 212-074-3
• NSC Number: 6388
• DSSTox Substance ID: DTXSID10883563
• Nikkaji Number: J193.123G
• Mol file: 759-97-7.mol

Synonyms:1-BMPDA;1-bromo-2-methoxypropional dimethylacetal;alpha-bromo-beta-methoxypropionic aldehyde dimethylacetal

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

Chemical Property:

• Vapor Pressure: 0.241mmHg at 25°C
• Refractive Index: n20/D 1.458(lit.)
• Boiling Point: 54-55 °C/21 mmHg(lit.)
• Flash Point: 76 °C
• PSA: 27.69000
• Density: 1.395 g/mL at 25 °C(lit.)
• LogP: 1.01520
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 212.00481
• Heavy Atom Count: 10
• Complexity: 75.4

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(C(OC)OC)Br

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

There total 5 articles about 2-Bromo-1,1,3-trimethoxypropane 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: 12.0%

methanol (67-56-1) + acrolein (107-02-8,25068-14-8) → 2-bromo-1,1,3-trimethoxy-propane (759-97-7) + 2-bromo-3-methoxypropanal (10490-50-3)

Guidance literature:

With N-Bromosuccinimide; sulfuric acid;

DOI:10.1021/jo00156a054

Reference yield:

methanol (67-56-1) + acrolein (107-02-8,25068-14-8) → 2-bromo-1,1,3-trimethoxy-propane (759-97-7)

Guidance literature:

With copper(ll) bromide;

DOI:10.1021/jo01068a653

Reference yield:

methanol (67-56-1) + 2,3-dibromopropanal (5221-17-0) → 2-bromo-1,1,3-trimethoxy-propane (759-97-7)

Guidance literature:

With hydrogenchloride; for 40h; Yield given; Heating;

DOI:10.1016/0040-4020(95)00477-P

upstream raw materials:

2-bromo-3-chloro-1,1-dimethoxy-propane

sodium methylate

methanol

acrolein

Downstream raw materials:

1,3,3-trimethoxyprop-1-ene

2-(2-Methoxy-4-methyl-phenoxy)-3-methoxy-propanal-dimethylacetal

1,3,3-trimethoxypropene

Refernces

• 1、 Heasley, Victor L.,Wade, Kimberley E.,Aucoin, Thomas G.,Gipe, Daphne E.,Shellhamer Dale F.,Heasley, Gene E.. "A Study of the Acid-Catalyzed Reaction of N-Bromosuccinimide in Methanol with Some α,β-Unsaturated Carbonyl Compounds". . p. 1377 - 1379. Retrieved 2007/10/02.