Ethyl-1,1-d2-benzene

Base Information

Chemical Name:Ethyl-1,1-d2-benzene
CAS No.:1861-01-4
Molecular Formula:C8H8 D2
Molecular Weight:108.152
Hs Code.:
European Community (EC) Number:693-231-7
DSSTox Substance ID:DTXSID60469331
Nikkaji Number:J766.886D
Wikidata:Q82296999
Mol file:1861-01-4.mol

Synonyms:Ethyl-1,1-d2-benzene;1861-01-4;1,1-dideuterioethylbenzene;ETHYL-alpha,alpha-D2-BENZENE;[(1,1-?H?)ethyl]benzene;DTXSID60469331;D99069;Ethyl-1,1-d2-benzene, 98 atom % D, 99% (CP)

Suppliers and Price of Ethyl-1,1-d2-benzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Medical Isotopes, Inc.
Ethyl-α,α-d2-benzene
0.5 g
$ 795.00

Total 8 raw suppliers

Chemical Property of Ethyl-1,1-d2-benzene

Chemical Property:

Boiling Point:136 °C(lit.)
Flash Point:72 °F
PSA：0.00000
Density:0.883 g/mL at 25 °C
LogP:2.24900
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:108.090803811
Heavy Atom Count:8
Complexity:51.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl-α,α-d2-benzene ^*data from reagent suppliers

Safty Information:

Pictogram(s): F
Hazard Codes:F
Statements: 11
Safety Statements: 16

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=CC=CC=C1
Isomeric SMILES:[2H]C([2H])(C)C1=CC=CC=C1
Uses Ethyl-alpha,alpha-d2-benzene (CAS# 1861-01-4) is a useful isotopically labeled research compound.

Technology Process of Ethyl-1,1-d2-benzene

There total 11 articles about Ethyl-1,1-d2-benzene 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: 69.0%

: 98-86-2
acetophenone

: 1861-01-4
ethylbenzene-1,1-d2

Guidance literature:: With deuterium; palladium on activated charcoal; In tetradeuterioacetic acid; at 25 ℃; for 4h; under 1034.3 Torr;
DOI:10.1021/jo00389a058

Reference yield:

: 98-86-2
acetophenone

: 1861-01-4
ethylbenzene-1,1-d2

: 100-41-4,27536-89-6
ethylbenzene

: 38729-11-2
(ethyl-1-d) : (ethyl-2-d)benzene

: 1861-02-5
1-deuterioethylbenzene

: C₈H₇⁽²⁾H₃

: C₈H₆⁽²⁾H₄

Guidance literature:: With ethanol-d6; at 20 ℃; for 6h; Inert atmosphere; Irradiation; Sealed tube;
DOI:10.1039/d0gc00732c

Reference yield:

: 98-86-2
acetophenone

: 1861-01-4
ethylbenzene-1,1-d2

: 100-41-4,27536-89-6
ethylbenzene

: 1861-02-5
1-deuterioethylbenzene

: C₈H₇⁽²⁾H₃

: C₈H₆⁽²⁾H₄

Guidance literature:: Multi-step reaction with 2 steps

1: ; ethanol / 6 h / 20 °C / Inert atmosphere; Irradiation; Sealed tube; Green chemistry

2: ; ethanol-d6 / 6 h / 20 °C / Inert atmosphere; Irradiation; Sealed tube

With ethanol-d6; ethanol;
DOI:10.1039/d0gc00732c