(O,1,1,1,2,3,3,3-2H8)Propan-2-ol

Base Information

• Chemical Name: (O,1,1,1,2,3,3,3-2H8)Propan-2-ol
• CAS No.: 22739-76-0
• Molecular Formula: C3D8 O
• Molecular Weight: 68.0324
• Hs Code.: 28459000
• European Community (EC) Number: 245-189-2
• DSSTox Substance ID: DTXSID30177279
• Nikkaji Number: J286.290E
• Wikidata: Q83047597
• Mol file: 22739-76-0.mol

Synonyms:2-Propanol-d8;22739-76-0;Isopropanol-d8;(O,1,1,1,2,3,3,3-2H8)Propan-2-ol;1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane;iso-Propyl Alcohol-d8;EINECS 245-189-2;2-Propan-1,1,1,2,3,3,3-d7-ol-d;MFCD00044341;Isopropyl-d7 alcohol-d;(2H8)-2-Propanol;C3D8O;C3-D8-O;DTXSID30177279;CS-CE-00827;2-Propanol-d8, 99.5 atom % D;AKOS015903465;Propan-1,1,1,2,3,3,3-d7-2-ol-d;D99058;A935653;J-014836

Chemical Property of (O,1,1,1,2,3,3,3-2H8)Propan-2-ol

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 81.3mmHg at 25°C
• Melting Point: -89.5°C
• Refractive Index: n20/D 1.3728(lit.)
• Boiling Point: 82 °C(lit.)
• Flash Point: 11.7°C
• PSA: 20.23000
• Density: 0.791g/cm³
• LogP: 0.38710
• Storage Temp.: Flammables area
• Water Solubility.: Completely soluble in water.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 68.107728842
• Heavy Atom Count: 4
• Complexity: 10.8

Purity/Quality:

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

2-Propanol-d8 99.5 atom % D ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 11-67-36
• Safety Statements: 7-16-26-24/25-2017/7/16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)O
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])O[2H]
• Uses: 2-Propanol-d{8} is used as an intermediate in chemical research and in pharmaceutics.

Technology Process of (O,1,1,1,2,3,3,3-2H8)Propan-2-ol

There total 4 articles about (O,1,1,1,2,3,3,3-2H8)Propan-2-ol 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:

isopropyl alcohol (67-63-0,8013-70-5) → d8-isopropanol (22739-76-0)

Guidance literature:

With (6-di-tert-butylphosphinomethyl-2,2’-bipyridyl)Ru(CO)HCl; water-d2; sodium hydroxide; at 50 ℃; for 40h;

DOI:10.1021/cs400092p

Reference yield:

[(2)H6]acetone (666-52-4) → d8-isopropanol (22739-76-0)

Guidance literature:

With sodium borodeuteride; deuteriated sodium hydroxide; In water-d2;

DOI:10.1021/ja00343a012

Reference yield:

Isopropanol-d1 (3979-51-9) → d8-isopropanol (22739-76-0)

Guidance literature:

With Cp*(PMe₃)IrCl₂; water-d2; at 135 ℃; for 40h; Product distribution;

DOI:10.1021/ja017219d

upstream raw materials:

[⁽²⁾H₆]acetone

Isopropanol-d1

isopropyl alcohol

Downstream raw materials:

(4R)-[²H]NADPH

1,1,1,2,3,3,3-heptadeuterio-2-propanol

[⁽²⁾H₆]acetone

hexadeuteriopropene

Refernces

• 1、 Chatterjee, Basujit,Gunanathan, Chidambaram. "Ruthenium Catalyzed Selective α- And α,β-Deuteration of Alcohols Using D2O". supporting information. p. 4794 - 4797. Retrieved 2015/10/12.
• 2、 Casey, Charles P.,Johnson, Jeffrey B.. "Kinetic isotope effect evidence for a concerted hydrogen transfer mechanism in transfer hydrogenations catalyzed by [p-(Me2CH)C6H4Me] Ru-(NHCHPhCHPhNSO2C6H4-p-CH3)". . p. 1998 - 2001. Retrieved 2007/10/03.