1-Bromo-2,2-dimethoxypropane

Base Information

• Chemical Name: 1-Bromo-2,2-dimethoxypropane
• CAS No.: 126-38-5
• Molecular Formula: C5H11BrO2
• Molecular Weight: 183.045
• Hs Code.: 29110000
• European Community (EC) Number: 204-784-7
• UNII: 323582F8T3
• DSSTox Substance ID: DTXSID70155036
• Nikkaji Number: J21C
• Wikidata: Q72451220
• Mol file: 126-38-5.mol

Synonyms:1-Bromo-2,2-dimethoxypropane;126-38-5;Propane, 1-bromo-2,2-dimethoxy-;1-Bromo-2,2-dimethoxyprpopane;MFCD00000208;C5H11BrO2;EINECS 204-784-7;323582F8T3;bromo-2,2dimethoxypropane;bromo-2,2-dimethoxypropane;SCHEMBL1058441;1-bromo-2,2-dimethoxy propane;1-bromo-2,2-dimethoxy-propane;AMY2937;DTXSID70155036;BROMOACETONE DIMETHYL KETAL;UNII-323582F8T3;BROMOACETONE DIMETHYL ACETAL;1-Bromo-2,2-dimethoxypropane, 97%;AKOS015913651;AB00120;AS-40311;SY078679;CS-0112295;FT-0607433;EN300-97148;J-005375

Chemical Property of 1-Bromo-2,2-dimethoxypropane

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 4.09mmHg at 25°C
• Refractive Index: n20/D 1.447(lit.)
• Boiling Point: 154.4 °C at 760 mmHg
• Flash Point: 40.6 °C
• PSA: 18.46000
• Density: 1.335 g/cm³
• LogP: 1.39030
• Storage Temp.: Flammables area
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 181.99424
• Heavy Atom Count: 8
• Complexity: 61.4

Purity/Quality:

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

1-Bromo-2,2-dimethoxypropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-27-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CBr)(OC)OC
• Uses: 1-Bromo-2,2-dimethoxypropane was used in the synthesis of:coronenedicarbonyl(η5-cyclopentadienyl)(η′-2-methoxyallyl)iron

Technology Process of 1-Bromo-2,2-dimethoxypropane

There total 4 articles about 1-Bromo-2,2-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: 87.2%

1-bromoacetone (598-31-2) + trimethyl orthoformate (149-73-5) → 1-bromo-2,2-dimethoxypropane (126-38-5)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 ℃; for 2h;

Reference yield:

methanol (67-56-1) + 2-ethoxyprop-1-ene (926-66-9) → 1-bromo-2,2-dimethoxypropane (126-38-5)

Guidance literature:

With N-bromophthalimide;

DOI:10.1016/S0040-4039(01)94236-4

Reference yield:

methanol (67-56-1) + 2,2-dimethoxy-propane (77-76-9) → 1,3-dibromo-2,2-dimethoxypropane (22094-18-4) + 1-bromo-2,2-dimethoxypropane (126-38-5)

Guidance literature:

With bromine; Yield given. Multistep reaction; 1.) -20 deg C, 2.) electrolysis, 2.5 F/mol;

upstream raw materials:

methanol

2-ethoxyprop-1-ene

1-bromoacetone

trimethyl orthoformate

Downstream raw materials:

1-bromoacetone

methyl 5-chloro-2-methylimidazo[1,2-a]pyridine-7-carboxylate hydrobromide

7-bromo-2-methylimidazo[1,2-a]pyridine

6-bromo-2-methyl-imidazo[1,2-a]pyrazine

Refernces

• 1、 -. "Novel method for synthesizing 1-bromo-2,2-dimethoxypropane". Page/Page column 4-6. . Retrieved 2020/07/15.
• 2、 Aben, R.W.M.,Hanneman, E.J.M.,Scheeren, J.W.. "AN EFFICIENT SYNTHESIS OF α-BROMOACETALS VIA A COMBINED CHEMICAL AND ELECTROCHEMICAL BROMINATION". . p. 821 - 826. Retrieved 2007/10/02.