6-Benzylamino-1-hexanol

Base Information

• Chemical Name: 6-Benzylamino-1-hexanol
• CAS No.: 133437-08-8
• Molecular Formula: C13H21NO
• Molecular Weight: 207.316
• Hs Code.: 2922199090
• European Community (EC) Number: 678-218-6
• DSSTox Substance ID: DTXSID00568751
• Nikkaji Number: J726.669C
• Wikidata: Q82455098
• Mol file: 133437-08-8.mol

Synonyms:6-Benzylamino-1-hexanol;133437-08-8;6-(benzylamino)hexan-1-ol;N-(6-Hydroxyhexyl)benzylamine;SCHEMBL7982481;DTXSID00568751;MFCD09038506;AKOS022989246;1-Hexanol, 6-[(phenylmethyl)amino]-;SB78191;B2968;CS-0334432;D88975

Chemical Property of 6-Benzylamino-1-hexanol

Chemical Property:

• Vapor Pressure: 7.95E-05mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 327.9°C at 760 mmHg
• Flash Point: 95.6°C
• PSA: 32.26000
• Density: 1.00
• LogP: 2.71980
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 207.162314293
• Heavy Atom Count: 15
• Complexity: 133

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Benzylamino-1-hexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNCCCCCCO

Technology Process of 6-Benzylamino-1-hexanol

There total 11 articles about 6-Benzylamino-1-hexanol 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: 89.0%

N-(hex-5-en-1-yl)benzamide (113261-23-7) → N-benzyl-6-hydroxyhexan-1-amine (133437-08-8)

Guidance literature:

N-(hex-5-en-1-yl)benzamide; With PyBH₂I; In dichloromethane; at 20 ℃; for 2h;

With sodium perborate; In tetrahydrofuran; dichloromethane; at 0 - 20 ℃;

DOI:10.1021/ja043743j

Reference yield: 82.0%

1-Benzyl-hexahydro-azepin-2-on (33241-96-2) → N-benzyl-6-hydroxyhexan-1-amine (133437-08-8)

Guidance literature:

With lithium triethylborohydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

DOI:10.1016/S0040-4039(02)00844-4

Reference yield:

6-(benzylideneamino)hexan-1-ol → N-benzyl-6-hydroxyhexan-1-amine (133437-08-8)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 0 ℃; for 2h;

DOI:10.1016/S0968-0896(00)00055-9

upstream raw materials:

1-Benzyl-hexahydro-azepin-2-on

N-(hex-5-en-1-yl)benzamide

6-amino-1-hexanol

benzaldehyde

Downstream raw materials:

1-benzylazepane

tert-butyl benzyl(6-hydroxyhexyl)carbamate

6-(N-tert-Butoxycarbonyl-N-phenylmethylamino)-hexanoic acid

toluene-4-sulfonic acid 6-(benzyl-tert-butoxycarbonyl-amino)-hexyl ester

Refernces

• 1、 -. "METHOD FOR PREPARING 6-AMINOHEXYL LACTOSIDE-NOTA CONJUGATE". Paragraph 0050; 0051. . Retrieved 2017/07/14.
• 2、 Marion, Ronan,Saleh, Nidal M.,Le Poul, Nicolas,Floner, Didier,Lavastre, Olivier,Geneste, Florence. "Rate enhancement of the catechol oxidase activity of a series of biomimetic monocopper(ii) complexes by introduction of non-coordinating groups in N-tripodal ligands". experimental part. p. 1828 - 1835. Retrieved 2012/10/08.