Methanol-18O

Base Information

• Chemical Name: Methanol-18O
• CAS No.: 5770-05-8
• Molecular Formula: CH4O
• Molecular Weight: 34.0428
• European Community (EC) Number: 622-311-6
• DSSTox Substance ID: DTXSID00480247
• Nikkaji Number: J726.870J
• Mol file: 5770-05-8.mol

Synonyms:Methanol-18O;methan(18O)ol;5770-05-8;DTXSID00480247;Methanol-18O, 95 atom % 18O

Chemical Property of Methanol-18O

Chemical Property:

• Melting Point: 65.4 °C(lit.)
• Boiling Point: -98 °C(lit.)
• PSA: 20.23000
• Density: 0.840 g/mL at 25 °C
• LogP: -0.39150
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 34.030459740
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

99% ^*data from raw suppliers

METHANOL-18O 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-23/25-36/38
• Safety Statements: 7-16-24-33-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CO
• Isomeric SMILES: C[18OH]
• Uses: Methanol-18O is a labeled isotope of Methanol(M276585) a common chemical reagent in organic synthesis participating in a variety of reactions. Methanol (18o, 95%) exhibits low-temperature kinetic isotope effects

Technology Process of Methanol-18O

There total 2 articles about Methanol-18O 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:

18O-methyl triphenylacetate → methanol (67-56-1) + [18O]-methanol (5770-05-8) + triphenylacetic acid (595-91-5) + 18O-triphenylacetic acid

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 100 ℃; for 287h; Mechanism; also 18O-methyl trimethylacetate;

DOI:10.1139/v93-230

Reference yield:

formamide (77287-34-4,77287-35-5,60100-09-6) → methanol (67-56-1) + [18O]-methanol (5770-05-8)

Guidance literature:

With hydrogen; boric acid; ¹⁸O-labeled water; at 100 ℃; for 36h; under 12001.2 Torr; Sealed tube; Green chemistry;

DOI:10.1039/d0gc04303f

Reference yield: 79.0%

[18O]-methanol (5770-05-8) + CYANAMID (420-04-2) + toluene-4-sulfonic acid (104-15-4) → O-methylisouronium p-toluenesulfonate-(18)O

Guidance literature:

at 51 ℃; for 48h;

DOI:10.1021/ja00261a017

upstream raw materials:

formamide

Downstream raw materials:

1-benzoyloxy-11-oxa-bicyclo[4.4.1]undecane

(S)-1-phenylpropan-2-ol

Methyl methanesulfonate

[⁽¹⁸⁾O]-Dimethyl ether

Refernces

• 1、 Lennox, R. Bruce,Li, Chao-Jun,Ni, Siting,Roy, Ranjan,Zhu, Jun. "Catalytic hydrogenation of CO2from airviaporous silica-supported Au nanoparticles in aqueous solution". . p. 3740 - 3749. Retrieved 2021/06/06.