(S)-1-Benzyl-3-hydroxypiperidine

Base Information

• Chemical Name: (S)-1-Benzyl-3-hydroxypiperidine
• CAS No.: 91599-79-0
• Molecular Formula: C12H17 N O
• Molecular Weight: 191.273
• Hs Code.: 2933399090
• European Community (EC) Number: 622-784-9
• Nikkaji Number: J3.521.849A
• Mol file: 91599-79-0.mol

Synonyms:91599-79-0;(S)-1-benzylpiperidin-3-ol;(S)-1-Benzyl-3-hydroxypiperidine;(3s)-1-benzylpiperidin-3-ol;(S)-1-N-Benzyl-3-hydroxy-piperidine;3-PIPERIDINOL, 1-(PHENYLMETHYL)-, (3S)-;(s)-1-n-benzyl-3-hydroxypiperidine;MFCD03426359;(s)-n-benzyl-3-hydroxypiperidine;(S)-1-Benzyl-piperidinol;(s)-1-benzyl-piperidin-3-ol;(S)-(+)-1-BENZYL-3-HYDROXYPIPERIDINE;SCHEMBL5205368;(3S)-1-Benzyl-3-piperidinol;UTTCOAGPVHRUFO-LBPRGKRZSA-N;1-benzyl(3S)-3-hydroxypiperidine;BCP07765;1-benzyl-(3S)-3-hydroxypiperidine;AKOS007930793;AKOS015899793;CS-W015845;(S)-1-Benzyl-3-hydroxypiperidine,97%;AS-37001;TS-02703;A13566;(S)-(+)-1-Benzyl-3-hydroxypiperidine

Chemical Property of (S)-1-Benzyl-3-hydroxypiperidine

Chemical Property:

• Vapor Pressure: 0.000631mmHg at 25°C
• Refractive Index: n20/D 1.545±0.002
• Boiling Point: 296.8°Cat760mmHg
• PKA: 14.82±0.20(Predicted)
• Flash Point: 96.3°C
• PSA: 23.47000
• Density: 1.106g/cm³
• LogP: 1.58120
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

(S)-1-Benzylpiperidin-3-ol 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CN(C1)CC2=CC=CC=C2)O
• Isomeric SMILES: C1C[C@@H](CN(C1)CC2=CC=CC=C2)O

Technology Process of (S)-1-Benzyl-3-hydroxypiperidine

There total 30 articles about (S)-1-Benzyl-3-hydroxypiperidine 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%

(S)-1-benzyl-3-hydroxypiperidine camphorsulfonate → (S)-1-N-benzyl-3-hydroxypiperidine (91599-79-0)

Guidance literature:

With sodium hydroxide; In water; at 0 - 5 ℃; for 0.166667h;

Reference yield: 94.0%

1-benzyl-3-piperidone (40114-49-6) → (S)-1-N-benzyl-3-hydroxypiperidine (91599-79-0)

Guidance literature:

With recombinant Rhodococcus erythropolis DSM 43297 ketoredutase; nicotinamide adenine dinucleotide; In aq. phosphate buffer; isopropyl alcohol; at 50 ℃; for 4h; pH=7.0; stereoselective reaction; Enzymatic reaction;

DOI:10.1016/j.procbio.2017.03.002

Reference yield: 89.1%

C14H12F3NO4 → (S)-1-N-benzyl-3-hydroxypiperidine (91599-79-0)

Guidance literature:

With sodium tetrahydroborate; boron trifluoride diethyl etherate; In tetrahydrofuran; at -15 - 65 ℃; for 1h;

upstream raw materials:

(S)-3-hydroxypiperidine

benzyl chloride

3-hydroxypiperazine

(S)-N-benzoyl-3-hydroxypiperidine

Downstream raw materials:

tert-butyl (3S)-3-aminopiperidine-1-carboxylate

tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate

(R)-3-methanesulfonyloxy-piperidine-1-carboxylic acid tert-butyl ester

tert-butyl (3R)-3-(p-tolylsulfonyloxy)piperidine-1-carboxylate