Catechol Dimethylether-d6

Base Information

• Chemical Name: Catechol Dimethylether-d6
• CAS No.: 24658-24-0
• Molecular Formula: C8H4D6O2
• Molecular Weight: 144.119
• DSSTox Substance ID: DTXSID50480535
• Wikidata: Q82315365
• Mol file: 24658-24-0.mol

Synonyms:Catechol Dimethylether-d6;24658-24-0;Benzene, 1,2-di(methoxy-d3)-;1,2-bis(trideuteriomethoxy)benzene;1,2-DIMETHOXY-D6-BENZENE;1,2-Dimethoxybenzene-d6;1,2-di(?H?)methoxybenzene;1,2-Bis(methoxy-d3)benzene;SCHEMBL3661985;DTXSID50480535;CATECHOL DIMETHYL ETHER-D6;HY-B1812S3;1, 2-bis(trideuteriomethoxy)benzene;AKOS030242144;CS-0564569;D99599;A935566;J-015620

Chemical Property of Catechol Dimethylether-d6

Chemical Property:

• Boiling Point: 206.25 °C at 760 mmHg
• Flash Point: 76.64 °C
• PSA: 18.46000
• Density: 1.049 g/cm³
• LogP: 1.70380
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 144.105740033
• Heavy Atom Count: 10
• Complexity: 81.3

Purity/Quality:

99% ^*data from raw suppliers

CatecholDimethylether-d6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1OC
• Isomeric SMILES: [2H]C([2H])([2H])OC1=CC=CC=C1OC([2H])([2H])[2H]
• Uses: Catechol Dimethylether-d6 (cas# 24658-24-0) is a compound useful in organic synthesis.

Technology Process of Catechol Dimethylether-d6

There total 2 articles about Catechol Dimethylether-d6 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: 92.0%

iodomethane-d3 (865-50-9) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → <2H6>1,2-dimethoxybenzene (24658-24-0)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 20 ℃;

Reference yield:

d6-dimethyl sulfate (15199-43-6) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → <2H6>1,2-dimethoxybenzene (24658-24-0) + o-methoxyphenol-d3 (74495-69-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1016/0022-2860(83)85065-0

Reference yield: 60.0%

<2H6>1,2-dimethoxybenzene (24658-24-0) + tert-butyl 4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate (139290-70-3) → tert-butyl 4-(2,3-bis(methoxy-d3)benzoyl)piperidine-1-carboxylate

Guidance literature:

<2H6>1,2-dimethoxybenzene; With n-butyllithium; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 2h;

tert-butyl 4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate; In tetrahydrofuran; hexane; at 0 - 20 ℃;

upstream raw materials:

d6-dimethyl sulfate

benzene-1,2-diol

iodomethane-d3

Refernces

• 1、 -. "DEUTERATED FORMS AND DERIVATIVES OF VOLINANSERIN". Paragraph 167. . Retrieved 2020/07/14.