3-Bromo-1,1-dimethoxypropane

Base Information

• Chemical Name: 3-Bromo-1,1-dimethoxypropane
• CAS No.: 36255-44-4
• Molecular Formula: C5H11 Br O2
• Molecular Weight: 183.045
• Hs Code.: 29110000
• European Community (EC) Number: 252-936-6
• UNII: OD9JKH5WOJ
• DSSTox Substance ID: DTXSID50189793
• Nikkaji Number: J319.616J
• Wikidata: Q72454811
• Mol file: 36255-44-4.mol

Synonyms:3-Bromo-1,1-dimethoxypropane;36255-44-4;3-Bromopropionaldehyde dimethyl acetal;1-Bromo-3,3-dimethoxypropane;Propane, 3-bromo-1,1-dimethoxy-;3-bromo-1,1-dimethoxy-propane;OD9JKH5WOJ;3-bromopropionaldehyde dimethylacetal;MFCD00013245;3,3-dimethoxypropyl bromide;1,1-Dimethoxy-3-bromopropane;EINECS 252-936-6;UNII-OD9JKH5WOJ;3-bromopropanal dimethylacetal;SCHEMBL713320;3-bromo-1,1dimethoxy-propane;3-Bromo-1, 1dimethoxy-propane;DTXSID50189793;3-Bromo-1,1-dimethoxypropane #;3-bromo-1,1-bis(methyloxy)propane;AMY19911;3-bromo-propionaldehyd-dimethylacetal;AKOS015902532;3-BROMOPROPANAL DIMETHYL ACETAL;CS-W023200;AS-31071;B1901;FT-0639309;EN300-93238;3-Bromopropionaldehyde dimethyl acetal, technical grade, 90%

Chemical Property of 3-Bromo-1,1-dimethoxypropane

Chemical Property:

• Appearance/Colour: Clear pale yellow liquid
• Vapor Pressure: 2.54mmHg at 25°C
• Refractive Index: n20/D 1.449(lit.)
• Boiling Point: 164.8°Cat760mmHg
• Flash Point: 46 ºC
• PSA: 18.46000
• Density: 1.341
• LogP: 1.39030
• Storage Temp.: Refrigerator
• Water Solubility.: Not miscible or difficult to mix with water.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 181.99424
• Heavy Atom Count: 8
• Complexity: 45.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-BromopropanalDimethylAcetal ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Acetals
• Canonical SMILES: COC(CCBr)OC
• Uses: 3-Bromopropionaldehyde dimethyl acetal was used in the synthesis of spiro cyclobutanones.

Technology Process of 3-Bromo-1,1-dimethoxypropane

There total 8 articles about 3-Bromo-1,1-dimethoxypropane 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: 70.0%

methanol (67-56-1) + acrolein (107-02-8,25068-14-8) → 3-bromopropanal dimethyl acetal (36255-44-4)

Guidance literature:

With hydrogen bromide; 1.) 0 deg C, 2.) 25 deg C;

DOI:10.1021/jo00324a058

Reference yield: 70.0%

methanol (67-56-1) + 1,3-dibromo-1-methoxypropane (59635-13-1) → 3-bromopropanal dimethyl acetal (36255-44-4)

Guidance literature:

for 2h;

DOI:10.1021/jo00249a008

Reference yield: 63.0%

3,3-dimethoxyprop-1-ene (6044-68-4) → 3-bromopropanal dimethyl acetal (36255-44-4)

Guidance literature:

With chloro-trimethyl-silane; 4 A molecular sieve; sodium bromide; In acetonitrile; at 22 ℃; for 1.5h;

upstream raw materials:

methanol

1,3-dibromo-1-methoxypropane

acrolein

trimethyl orthoformate

Downstream raw materials:

(3,3-dimethoxy-propyl)-[2]pyridyl-amine

3,3-dimethoxyprop-1-ene

4,4-dimethoxybutanenitrile

1-(3,3-Dimethoxypropyl)-1-phenyl-2-indanon

Refernces

• 1、 -. "Scavenger assisted combinatorial process for preparing libraries of tertiary amine compounds". . . Retrieved 2008/06/13.
• 2、 Gribble,Switzer,Soll. "A biomimetic approach to the Elaeocarpus alkaloids. Syntheses of (±)-Elaeokanine A, (±)-Elaeokanine C, (±)-Elaeocarpidine, and (±)-Tarennine". . p. 3164 - 3170. Retrieved 2007/10/02.