Ubine

Base Information

• Chemical Name: Ubine
• CAS No.: 34469-09-5
• Molecular Formula: C10H15NO
• Molecular Weight: 165.235
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID301027911
• Nikkaji Number: J1.390.565G
• Wikidata: Q76010249
• Mol file: 34469-09-5.mol

Synonyms:Ubine;34469-09-5;SCHEMBL907640;FUKFNSSCQOYPRM-JTQLQIEISA-N;DTXSID301027911;(R)-1-phenyl-2-dimethylaminoethanol;(R)-2-Dimethylamino-1-phenylethanol;AKOS040735036;(-)-2-(Dimethylamino)-1-phenylethanol

Chemical Property of Ubine

Chemical Property:

• PSA: 23.47000
• LogP: 1.28160
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115364102
• Heavy Atom Count: 12
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ubine

There total 28 articles about Ubine 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: 100.0%

2-dimethylamino-1-phenyl-ethanone; hydrochloride (61185-97-5) → (S)-2-dimethylamino-1-phenylethanol (2202-68-8,2202-69-9,6853-14-1,34469-09-5)

Guidance literature:

With chiral Rh complex derived from N,O-bis(dicyclopentylphosphinyl)-(S)-2-hydroxymethylindoline; hydrogen; In toluene; at 20 ℃; for 18h; under 37503 Torr;

DOI:10.1016/S0957-4166(97)00642-3

Reference yield: 93.0%

(R)-Styrene oxide (20780-53-4) + dimethyl amine (124-40-3) → (R)-2-dimethylamino-1-phenyl-ethanol (34469-09-5)

Guidance literature:

at 55 ℃; for 4h; steel bomb;

DOI:10.1021/jo00158a046

Reference yield: 86.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (S)-2-Amino-1-phenyl-1-ethanol (56613-81-1,1936-63-6) → (S)-2-dimethylamino-1-phenylethanol (2202-68-8,2202-69-9,6853-14-1,34469-09-5)

Guidance literature:

In formic acid; water; at 20 - 95 ℃; for 19h;

DOI:10.1021/jm300204j

upstream raw materials:

2-dimethylamino-1-phenylethanol

(S)-2-(dimethylamino)-2-oxo-1-phenylethyl acetate

2-dimethylamino-1-phenyl-ethanone

2-dimethylamino-1-phenyl-ethanone; hydrochloride

Downstream raw materials:

Dimethyl-[(S)-2-phenyl-2-((E)-1-trimethylsilanyloxy-propenyloxy)-ethyl]-amine

diniconazole

C₂₈H₃₃N₅O₅

(S)-2-(dimethylamino)-1-phenylethyl-3-(4-fluorobenzamido)-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate

Refernces

• 1、 -. "waylen apperception HIV reverse transcriptase inhibitors in accordance with the law of the process for the asymmetric synthesis of one-pot synthesis (by machine translation)". Paragraph 0179; 0180; 0181. . Retrieved 2016/10/07.
• 2、 Magre, Marc,Biosca, Maria,Norrby, Per-Ola,Pàmies, Oscar,Diéguez, Montserrat. "Theoretical and Experimental Optimization of a New Amino Phosphite Ligand Library for Asymmetric Palladium-Catalyzed Allylic Substitution". . p. 4091 - 4107. Retrieved 2015/12/26.