(S)-(-)-3-Chloro-1-phenyl-1-propanol

Base Information

• Chemical Name: (S)-(-)-3-Chloro-1-phenyl-1-propanol
• CAS No.: 100306-34-1
• Molecular Formula: C9H11ClO
• Molecular Weight: 170.639
• Hs Code.: 29062990
• European Community (EC) Number: 626-422-0
• DSSTox Substance ID: DTXSID30380701
• Nikkaji Number: J1.365.961C
• Wikidata: Q72457402
• Mol file: 100306-34-1.mol

Synonyms:100306-34-1;(S)-(-)-3-Chloro-1-phenyl-1-propanol;(S)-3-Chloro-1-phenylpropan-1-ol;(S)-3-Chloro-1-phenyl-1-propanol;(1S)-3-chloro-1-phenylpropan-1-ol;(s)-3-chloro-1-phenylpropanol;[S]-3-chloro-1-phenylpropanol;[S]-(-)-3-chloro-1-phenyl-1-propanol;MFCD00013309;Benzenemethanol, alpha-(2-chloroethyl)-, (alphaS)-;SCHEMBL1200943;DTXSID30380701;(S)-3-chloro-1-phenyl-propanol;3-Chloro-1-phenyl-1-propanol #;(S)-3-chloro-1-phenylpropan-1ol;(S)-1-Phenyl-3-chloro-1-propanol;AKOS015850603;CS-W017667;(S)-(-)3-chloro-1-phenyl-1-propanol;(S)-alpha-(2-Chloroethyl)benzenemethanol;AS-17829;BP-13234;(S)-(+)-3-Chloro-1-phenyl-1-propanol;(S)-(-)-3-chloro-1-phenyl 1-propanol;[S]-(-)-1-chloro-3-phenyl-3-propanol;(S)-(-)-a-(2-Chloroethyl)benzyl Alcohol;[S]-(-)-1 chloro -3-phenyl-3-propanol;C2424;(S)-(-)-alpha-(2-Chloroethyl)benzyl alcohol;A23510;EN300-154530;(S)-(-)-3-Chloro-1-phenyl-1-propanol, 98%;(S)-(-)-3-CHLORO-1-PHENYL-PROPAN-1-OL;J-502450;Z1255427232;-(2-Chloroethyl)benzenemethanol;(S)-()-?-(2-Chloroethyl)benzyl alcohol

Chemical Property of (S)-(-)-3-Chloro-1-phenyl-1-propanol

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.000651mmHg at 25°C
• Melting Point: 58-60 °C(lit.)
• Refractive Index: 1.543
• Boiling Point: 296.4 °C at 760 mmHg
• PKA: 13.92±0.20(Predicted)
• Flash Point: 132 °C
• PSA: 20.23000
• Density: 1.149 g/cm³
• LogP: 2.34890
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 99.7

Purity/Quality:

99% ^*data from raw suppliers

(S)-(-)-3-Chloro-1-phenyl-1-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-38-37-36
• Safety Statements: 26-37/39-39-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CCCl)O
• Isomeric SMILES: C1=CC=C(C=C1)[C@H](CCCl)O
• Uses: (S)-(-)-3-Chloro-1-phenyl-1-propanol (cas# 100306-34-1) is a compound useful in organic synthesis.

Technology Process of (S)-(-)-3-Chloro-1-phenyl-1-propanol

There total 23 articles about (S)-(-)-3-Chloro-1-phenyl-1-propanol 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%

Chloro-acetic acid (S)-3-chloro-1-phenyl-propyl ester (142037-19-2) → 3-chloro-1-phenylpropanol (100306-34-1,125712-82-5)

Guidance literature:

With methanol; potassium carbonate;

DOI:10.1016/S0957-4166(00)80257-8

Reference yield: 94.0%

3-chloropropiophenone (936-59-4) → 3-chloro-1-phenylpropanol (100306-34-1,125712-82-5)

Guidance literature:

With potassium formate; Cp*IrCl[(S,S)-MsDPEN]; In water; toluene; at 50 ℃; for 24h; Product distribution / selectivity;

Reference yield: 75.0%

3-chloropropiophenone (936-59-4) → 3-chloro-1-phenylpropanol (100306-34-1,125712-82-5) + (1R)-3-chloro-1-phenylpropanol (100306-33-0,125712-82-5)

Guidance literature:

With dimethylsulfide borane complex; C₂₃H₂₂BNO₃; In tetrahydrofuran; at 20 ℃; for 2h; Reagent/catalyst;

upstream raw materials:

3-chloropropiophenone

Chloro-acetic acid (S)-3-chloro-1-phenyl-propyl ester

Isopropenyl acetate

3-chloro-1-phenyl-propan-1-ol

Downstream raw materials:

-(+)-1-chloro-3-phenyl-3-<4-(trifluoromethyl)phenoxy>propane

(R)-(+)-1-chloro-3-(4-iodo-2-methylphenoxy)-3-phenylpropane

-(+)-1-chloro-3-phenyl-3-(2-methoxyphenoxy)propane

1-[4-((R)-3-Chloro-1-phenyl-propoxy)-3-methyl-phenyl]-ethanone

Refernces

• 1、 Choi, Hye Jeong,Uhm, Ki-Nam,Kim, Hyung-Kwoun. "Production of chiral compound using recombinant Escherichia coli cells co-expressing reductase and glucose dehydrogenase in an ionic liquid/water two phase system". . p. 114 - 118. Retrieved 2011.
• 2、 Basu, Upamanyu,Bressin, Robert K.,Koide, Kazunori,Osman, Sami,Pohorilets, Ivanna. "Total Synthesis of Meayamycin B". supporting information. p. 4637 - 4647. Retrieved 2020/05/01.
• 3、 De Angelis, Sonia,De Renzo, Maddalena,Carlucci, Claudia,Degennaro, Leonardo,Luisi, Renzo. "A convenient enantioselective CBS-reduction of arylketones in flow-microreactor systems". supporting information. p. 4304 - 4311. Retrieved 2016/05/24.