1-(~2~H_5_)Phenyl(~2~H_4_)ethan-1-ol

Base Information

• Chemical Name: 1-(~2~H_5_)Phenyl(~2~H_4_)ethan-1-ol
• CAS No.: 19547-01-4
• Molecular Formula: C8H D9 O
• Molecular Weight: 131.095
• Hs Code.: 2845901000
• DSSTox Substance ID: DTXSID50575819
• Mol file: 19547-01-4.mol

Synonyms:19547-01-4;1-(~2~H_5_)Phenyl(~2~H_4_)ethan-1-ol;1,2,2,2-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)ethanol;SCHEMBL344403;DTXSID50575819;AKOS015914581;Benzene-D5-methan-d-ol,a-(methyl-d3)-(9ci)

Chemical Property of 1-(~2~H_5_)Phenyl(~2~H_4_)ethan-1-ol

Chemical Property:

• PSA: 20.23000
• LogP: 1.73990
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 131.129655652
• Heavy Atom Count: 9
• Complexity: 74.6

Purity/Quality:

99% ^*data from raw suppliers

1-Phenylethanol-D9>98.0Atom%D >98.0Atom%D ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)O
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])(C([2H])([2H])[2H])O)[2H])[2H]

Technology Process of 1-(~2~H_5_)Phenyl(~2~H_4_)ethan-1-ol

There total 5 articles about 1-(~2~H_5_)Phenyl(~2~H_4_)ethan-1-ol 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:

ethylbenzene-d10 (25837-05-2,84272-90-2) → styrene-d8 (19361-62-7,217501-55-8,27732-42-9) + 1,2,2,2-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)ethanol (19547-01-4)

Guidance literature:

With ³⁺; In acetonitrile; at -40 ℃; Kinetics;

DOI:10.1021/ja963578a

Reference yield:

<2H8>Acetophenone (19547-00-3) → 1,2,2,2-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)ethanol (19547-01-4)

Guidance literature:

With sodium borodeuteride; In methanol; at 0 ℃; for 1h;

DOI:10.1021/ol010108z

Reference yield:

acetophenone-d5 (28077-64-7) → 1,2,2,2-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)ethanol (19547-01-4)

Guidance literature:

upstream raw materials:

acetophenone-d5

ethylbenzene-d10

<2H8>Acetophenone

benzene-d6

Downstream raw materials:

styrene-d8

(+/-)-1-phenylethyl bromide-d9

(R)-α-methylbenzylamine

(1S)-α-methylbenzylamine-d9