2-Bromopropane-1,1,1,3,3,3-d6

Base Information

• Chemical Name: 2-Bromopropane-1,1,1,3,3,3-d6
• CAS No.: 52809-76-4
• Molecular Formula: C3H Br D6
• Molecular Weight: 128.945
• European Community (EC) Number: 694-196-0
• DSSTox Substance ID: DTXSID50441641
• Wikidata: Q82258497
• Mol file: 52809-76-4.mol

Synonyms:2-Bromopropane-1,1,1,3,3,3-d6;52809-76-4;2-bromo-1,1,1,3,3,3-hexadeuteriopropane;2-Bromopropane D6;hexadeuteroisopropyl bromide;SCHEMBL18170424;DTXSID50441641;CS-T-49864;2-bromo(1,1,1,3,3,3-?H?)propane;D98809;2-Bromopropane-1,1,1,3,3,3-d6, 99 atom % D, 98% (CP)

Chemical Property of 2-Bromopropane-1,1,1,3,3,3-d6

Chemical Property:

• PSA: 0.00000
• LogP: 1.78970
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 128.01077
• Heavy Atom Count: 4
• Complexity: 10.8

Purity/Quality:

99% ^*data from raw suppliers

2-Bromopropane-d6 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 60-11-48/20-66
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)Br
• Isomeric SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])Br
• Uses: 2-BROMOPROPANE-1,1,1,3,3,3-D6 is labelled analogue of 2-Bromopropane, a short chain alkyl halide used in organic synthesis primarily as an alkylating agent for introducing the isopropyl functional groups.

Technology Process of 2-Bromopropane-1,1,1,3,3,3-d6

There total 3 articles about 2-Bromopropane-1,1,1,3,3,3-d6 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: 87.0%

<1,1,1,3,3,3-D(6)>-Propan-2-ol (3976-29-2) → 1,1,1,3,3,3-hexadeuterio-2-bromopropane (52809-76-4)

Guidance literature:

With hydrogen bromide; Heating;

Reference yield:

<1,1,1,3,3,3-D(6)>-Propan-2-ol (3976-29-2) → 1,1,1,3,3,3-hexadeuterio-2-bromopropane (52809-76-4)

Guidance literature:

Heating;

Reference yield:

→ 1,1,1,3,3,3-hexadeuterio-2-bromopropane (52809-76-4)

Guidance literature:

(1,1,1,3,3,3-D6)-Propanol-(2), wss. HBr;

DOI:10.1139/v61-268

upstream raw materials:

<1,1,1,3,3,3-D(6)>-Propan-2-ol

Downstream raw materials:

2-<(2)H3>methyl-<3,3,3-(2)H3>propanoic acid

2-phenyl<1,1,1,3,3,3-2H6>propane

C₉H⁽²⁾H₁₁

<1-(2H3)methyl(2-2H3)ethyl>triphenylphosphonium bromide