2-Bromopropane-2-d1

Base Information

• Chemical Name: 2-Bromopropane-2-d1
• CAS No.: 4067-80-5
• Molecular Formula: (CH3)2CDBr
• Molecular Weight: 124.00
• European Community (EC) Number: 694-727-6
• DSSTox Substance ID: DTXSID50584007
• Wikidata: Q82475630
• Mol file: 4067-80-5.mol

Synonyms:2-Bromopropane-2-d1;4067-80-5;2-bromo-2-deuteriopropane;2-Bromo(2-~2~H)propane;deuterio-isopropyl bromide;DTXSID50584007;AKOS015912443;2-Bromopropane-2-d1, 98 atom % D;D99067

Chemical Property of 2-Bromopropane-2-d1

Chemical Property:

• Melting Point: -89oC(lit.)
• Refractive Index: n20/D 1.4252(lit.)
• Boiling Point: 59oC(lit.)
• Flash Point: 67 °F
• PSA: 0.00000
• Density: 1.321 g/mL at 25oC
• LogP: 1.78970
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 122.97939
• Heavy Atom Count: 4
• Complexity: 10.8

Purity/Quality:

99%, ^*data from raw suppliers

2-Bromopropane-2-d1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-23-26-36

MSDS Files:

Useful:

• Canonical SMILES: CC(C)Br
• Isomeric SMILES: [2H]C(C)(C)Br

Technology Process of 2-Bromopropane-2-d1

There total 3 articles about 2-Bromopropane-2-d1 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: 67.0%

2-Propanol-2-d (3972-26-7) → 2-bromo-2-deuteriopropane (4067-80-5)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja00336a045

Reference yield: 50.0%

(2-2H)propan-2-(2H)ol (19214-95-0) → 2-bromo-2-deuteriopropane (4067-80-5)

Guidance literature:

With hydrogen bromide; at 80 ℃; for 3h;

Reference yield:

→ 2-bromo-2-deuteriopropane (4067-80-5)

Guidance literature:

2-Deuterio-propan-2-ol, PBr3, Pyridin;

upstream raw materials:

2-Propanol-2-d

(^2-₂H)propan-2-(2H)ol

Downstream raw materials:

4-(1-deuterio-1-methylethyl)anisole

4-chloro-N-[1-D]isopropylformanilide

isopropylbenzene-d1