1-Propanol-d8

Base Information

• Chemical Name: 1-Propanol-d8
• CAS No.: 61393-63-3
• Molecular Formula: CD3CD2CD2OD
• Molecular Weight: 68.14
• European Community (EC) Number: 685-793-7
• DSSTox Substance ID: DTXSID30583977
• Wikidata: Q82475598
• Mol file: 61393-63-3.mol

Synonyms:1-Propanol-d8;61393-63-3;1,1,1,2,2,3,3-heptadeuterio-3-deuteriooxypropane;Deuterated Propanol;Deuterated propyl alcohol;DTXSID30583977;BDERNNFJNOPAEC-RIZALVEQSA-N;1-Propanol-d8, 98 atom % D;AKOS015912469;(~2~H_7_)Propan-1-(~2~H)ol;D98824

Chemical Property of 1-Propanol-d8

Chemical Property:

• Vapor Pressure: 26.3mmHg at 25°C
• Melting Point: -127oC(lit.)
• Refractive Index: n20/D 1.384(lit.)
• Boiling Point: 97oC(lit.)
• Flash Point: 59 °F
• PSA: 20.23000
• Density: 0.912 g/mL at 25oC
• LogP: 0.38870
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 68.107728842
• Heavy Atom Count: 4
• Complexity: 7.2

Purity/Quality:

99% ^*data from raw suppliers

1-Propanol-d8 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-41-67
• Safety Statements: 7-16-24-26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCO
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])O[2H]
• Uses: 1-Propanol-d8 is an intermediate used in the preparation of perdeuterated carboxylates, alcohols and alkyl bromides.

Technology Process of 1-Propanol-d8

There total 2 articles about 1-Propanol-d8 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: 85.0%

(2H5)propan(2H)oic acid (19448-61-4) → <2H8>propan-2-ol (61393-63-3)

Guidance literature:

With lithium aluminium deuteride; In diethyl ether; for 8h; Heating;

Reference yield:

propan-1-ol (71-23-8) → <2H8>propan-2-ol (61393-63-3)

Guidance literature:

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

DOI:10.1021/ja017219d

Reference yield: 83.9%

<2H8>propan-2-ol (61393-63-3) → propyl-d7 bromide (61909-26-0,61066-67-9,163400-20-2)

Guidance literature:

With phosphorus; bromine; at 85 - 90 ℃;

upstream raw materials:

(²H₅)propan(²H)oic acid

propan-1-ol

Downstream raw materials:

propyl-d7 bromide

Refernces

• 1、 Lipinski, K.,Lipinska, T.,Suszko-Purzycka, A.,Rykowski, A.. "Facile Preparation of Perdeuteriated Intermediates for the Synthesis of Chain Labelled Thermotropic Liquid Crystals". . p. 667 - 672. Retrieved 2007/10/02.