2-Propanol-2-13C

Base Information

• Chemical Name: 2-Propanol-2-13C
• CAS No.: 21388-65-8
• Molecular Formula: C3H8 O
• Molecular Weight: 61.0849
• European Community (EC) Number: 686-091-3
• Mol file: 21388-65-8.mol

Synonyms:2-Propanol-2-13C;(213C)propan-2-ol;21388-65-8;Isopropanol-13C;AKOS015913282;2-Propanol-2-13C, 99 atom % 13C

Chemical Property of 2-Propanol-2-13C

Chemical Property:

• Melting Point: −89.5 °C(lit.)
• Refractive Index: n20/D 1.377(lit.)
• Boiling Point: 82 °C(lit.)
• Flash Point: 53 °F
• PSA: 20.23000
• Density: 0.798 g/mL at 25 °C
• LogP: 0.38710
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 61.060869710
• Heavy Atom Count: 4
• Complexity: 10.8

Purity/Quality:

99% ^*data from raw suppliers

Isopropanol-13C ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)O
• Isomeric SMILES: C[13CH](C)O

Technology Process of 2-Propanol-2-13C

There total 5 articles about 2-Propanol-2-13C 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:

C5(CH3)5TiClOTiClC5(CH3)5O(13)C(CH3)2 → [2-(13C)]acetone (3881-06-9) + 13C labeled 2-propanol (21388-65-8)

Guidance literature:

With oxygen; In hexane; stirring in an O2 atmosphere;

DOI:10.1039/c39890000617

Reference yield:

C5(CH3)5Ti(CH3)O(CH3)TiC5(CH3)5O(13)C(CH3)2 → [2-(13C)]acetone (3881-06-9) + 13C labeled 2-propanol (21388-65-8)

Guidance literature:

With oxygen; In hexane; stirring in O2 atmosphere;

DOI:10.1039/c39890000617

Reference yield:

C5(CH3)5TiClOTiClC5(CH3)5O(13)C(CH3)2 → 13C labeled 2-propanol (21388-65-8)

Guidance literature:

With water;

DOI:10.1039/c39890000617

upstream raw materials:

[2-(13C)]acetone

Refernces

• 1、 Rende, Dean E.,Wojcicki, Andrew. "Mechanistic studies on reaction of [ReH4(η2- H2)(Cyttp)]+ with ketones to give the hydrido-oxo complex [ReH2(O)(Cyttp)]+ (Cyttp = PhP(CH2CH 2CH2PCy2)2)". . p. 862 - 873. Retrieved 2007/10/03.