(+)-a-Aminomethyl-o-chlorobenzyl alcohol

Base Information

• Chemical Name: (+)-a-Aminomethyl-o-chlorobenzyl alcohol
• CAS No.: 128704-85-8
• Molecular Formula: C8H10 Cl N O
• Molecular Weight: 171.62
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID90426750
• Wikidata: Q82239571
• Mol file: 128704-85-8.mol

Synonyms:(+)-a-Aminomethyl-o-chlorobenzyl alcohol;128704-85-8;(1S)-2-AMINO-1-(2-CHLOROPHENYL)ETHANOL;(S)-2-Amino-1-(2-chlorophenyl)ethanol;SCHEMBL3489603;DTXSID90426750;HICFIEHMABUVLC-MRVPVSSYSA-N;AKOS006306552;AT35085;(1S)-2-amino-1-(2-chlorophenyl)ethan-1-ol;EN300-1147056;(S)-2-AMINO-1-(2-CHLOROPHENYL)ETHAN-1-OL;Benzenemethanol,a-(aminomethyl)-2-chloro-,(S)-(9ci);BENZENEMETHANOL,A-(AMINOMETHYL)-2-CHLORO-, (S)- (9CI)

Chemical Property of (+)-a-Aminomethyl-o-chlorobenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• Boiling Point: 319.8°C at 760 mmHg
• Flash Point: 147.2°C
• PSA: 46.25000
• Density: 1.26g/cm³
• LogP: 2.03240
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 171.0450916
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

98.5% ^*data from raw suppliers

(+)-ALPHA-(AMINOMETHYL)-ORTHO-CHLOROBENZYL ALCOHOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (+)-a-Aminomethyl-o-chlorobenzyl alcohol

There total 2 articles about (+)-a-Aminomethyl-o-chlorobenzyl alcohol 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: 91.0%

<2R-(2α(S*),3aα,4α,7α,7aα)>-2-Chlor-β-<(octahydro-7,8,8-trimethyl-4,7-methanobenzofuran-2-yl)-oxy>-benzolethanamin (133163-15-2) → <2S-(2α,3aα,4α,7α,7aα)>-2,3,3a,4,5,6,7,7a-Octahydro-2-methoxy-7,8,8-trimethyl-4,7-methanobenzofuran (81925-10-2) + (S)-α-(Aminomethyl)-2-chlorbenzolmethanol (128704-85-8)

Guidance literature:

With hydrogenchloride; In methanol;

DOI:10.1007/BF00813211

Reference yield:

2-chlorobenzoyl cyanide (35022-42-5) → (S)-α-(Aminomethyl)-2-chlorbenzolmethanol (128704-85-8) + (R)-2-Amino-1-(2-chloro-phenyl)-ethanol (97590-54-0)

Guidance literature:

With sodium tetrahydroborate; B-isopinocampheyl-9-borabicyclo[3.3.1]nonane; cobalt(II) chloride; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 2.) methanol;

DOI:10.1021/jo00217a053

upstream raw materials:

2-chlorobenzoyl cyanide

<2R-(2α(S*),3aα,4α,7α,7aα)>-2-Chlor-β-<(octahydro-7,8,8-trimethyl-4,7-methanobenzofuran-2-yl)-oxy>-benzolethanamin

Refernces

• 1、 Midland, M. Mark,Lee, Penny E.. "Efficient Asymmetric Reduction of Acyl Cyanides with B-3-Pinanyl-9-BBN (Alpine-Borane)". . p. 3237 - 3239. Retrieved 2007/10/02.