2-PROPANOLE-D7

Base Information

• Chemical Name: 2-PROPANOLE-D7
• CAS No.: 19214-96-1
• Molecular Formula: C3H D7 O
• Molecular Weight: 67.0403
• Hs Code.: 2845901000
• DSSTox Substance ID: DTXSID50480717
• Nikkaji Number: J46.394I
• Wikidata: Q63409269
• Mol file: 19214-96-1.mol

Synonyms:Isopropyl-d7alcohol (7CI,8CI); Isopropanol-d7

Chemical Property of 2-PROPANOLE-D7

Chemical Property:

• PSA: 20.23000
• LogP: 0.38710
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 67.101452096
• Heavy Atom Count: 4
• Complexity: 10.8

Purity/Quality:

99%, ^*data from raw suppliers

Isopropanol-d7 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)O
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])O
• Uses: Isopropanol-d7 is a deuterated alcohol used in the study of lignite liquefaction.

Technology Process of 2-PROPANOLE-D7

There total 4 articles about 2-PROPANOLE-D7 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: 61.0%

<1,1,1,3,3,3-D(6)>-Propan-2-ol (3976-29-2) → 1,1,1,2,3,3,3-heptadeuterio-2-propanol (19214-96-1)

Guidance literature:

With water-d2; sodium chloride;

DOI:10.1016/j.poly.2020.114508

Reference yield:

[(2)H6]acetone (666-52-4) → 1,1,1,2,3,3,3-heptadeuterio-2-propanol (19214-96-1)

Guidance literature:

With lithium aluminium deuteride; diethyl ether;

DOI:10.1021/ja01154a054

Reference yield:

d8-isopropanol (22739-76-0) → 1,1,1,2,3,3,3-heptadeuterio-2-propanol (19214-96-1)

Guidance literature:

With water; sodium; Multistep reaction; 1) diglyme, overnight, 2) 24 h, reflux;

upstream raw materials:

[⁽²⁾H₆]acetone

d8-isopropanol

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

Downstream raw materials:

isopropyl-d₇ chloride

[⁽²⁾H₆]acetone

benzaldehyde

acetone

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