Propane-1,1,1,2,3,3,3-d7

Base Information

• Chemical Name: Propane-1,1,1,2,3,3,3-d7
• CAS No.: 92565-91-8
• Molecular Formula: C₁₂H₂₆O₂
• Molecular Weight: 202.337
• European Community (EC) Number: 685-059-6
• DSSTox Substance ID: DTXSID30440970
• Wikidata: Q82257483
• Mol file: 92565-91-8.mol

Synonyms:Propane-1,1,1,2,3,3,3-d7;92565-91-8;7371-42-8;Decane,2-(methoxymethoxy)-;DTXSID30440970;1,1,1,2,3,3,3-heptadeuteriopropane;Propane-1,1,1,2,3,3,3-d7, 98 atom % D

Chemical Property of Propane-1,1,1,2,3,3,3-d7

Chemical Property:

• Boiling Point: -42.1 °C(lit.)
• Flash Point: -104 °C
• PSA: 0.00000
• LogP: 1.41630
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 51.106537477
• Heavy Atom Count: 3
• Complexity: 0

Purity/Quality:

99% ^*data from raw suppliers

PROPANE-1,1,1,2,3,3,3-D7 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F+
• Statements: 12
• Safety Statements: 9-16

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propane-1,1,1,2,3,3,3-d7

There total 2 articles about Propane-1,1,1,2,3,3,3-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: 86.0%

Dimethoxymethane (109-87-5) + decan-2-ol (1120-06-5) → 2-Methoxymethoxy-decane (92565-91-8)

Guidance literature:

With pyrographite; In benzene; for 10h; Heating;

DOI:10.1080/00032719808006481

Reference yield:

decan-2-ol (1120-06-5) + chloromethyl methyl ether (107-30-2) → 2-Methoxymethoxy-decane (92565-91-8)

Guidance literature:

With dmap; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1039/b907910f

Reference yield:

2-Methoxymethoxy-decane (92565-91-8) → C18H30O2 (1296645-30-1)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 0.5 h / 0 °C / Inert atmosphere

2: dichloromethane / 22 h / 20 °C / Inert atmosphere

In dichloromethane;

DOI:10.1016/j.tet.2011.02.048

upstream raw materials:

Dimethoxymethane

decan-2-ol

chloromethyl methyl ether

Downstream raw materials:

C₁₈H₃₀O₂