6-Amino-1-hexanol

Base Information

• Chemical Name: 6-Amino-1-hexanol
• CAS No.: 4048-33-3
• Molecular Formula: C6H15NO
• Molecular Weight: 117.191
• Hs Code.: 29221990
• European Community (EC) Number: 223-748-1
• NSC Number: 91538
• UNII: I5BY7TMO6C
• DSSTox Substance ID: DTXSID9075242
• Nikkaji Number: J80.733H
• Wikidata: Q27456295
• Mol file: 4048-33-3.mol

Synonyms:6-Amino-1-hexanol;6-Aminohexan-1-ol;4048-33-3;1-Hexanol, 6-amino-;6-Aminohexanol;1-Amino-6-hexanol;6-Hydroxyhexylamine;Aminohexyl alcohol;HEXANOL, 6-AMINO-;Amidohexylalkohol;6-aminohexyl alcohol;Amidohexylalkohol [German];MFCD00008241;NSC 91538;6-AMINO-HEXAN-1-OL;EINECS 223-748-1;I5BY7TMO6C;BRN 1732524;NSC-91538;4-04-00-01785 (Beilstein Handbook Reference);6-Hydroxy-1-hexylamine;6-hexanolamine;6 -aminohexanol;6-amino hexanol;aminohexan-6-ol;NSC91538;1-amino-6-hydroxyhexane;UNII-I5BY7TMO6C;SCHEMBL16441;6-Amino-1-hexanol, 97%;NH2(CH2)6OH;H2NCH2(CH2)4CH2OH;6-HYDROXY-1-HEXANAMINE;DTXSID9075242;1-Hexanol, 6-amino- (8CI);AMY18359;STR06991;BBL103013;STL556822;AKOS002670881;CS-W007957;BP-20654;BP-31169;LS-75380;SY003099;A1027;BB 0253240;FT-0620902;rac 5-Hydroxy Valproic Acid-d7 Sodium Salt;6-Amino-1-hexanol, purum, >=97.0% (NT);EN300-104536;A825127;J-518246;Q27456295;F2191-0273

Chemical Property of 6-Amino-1-hexanol

Chemical Property:

• Appearance/Colour: slightly yellow crystalline powder
• Vapor Pressure: 0.0156mmHg at 25°C
• Melting Point: 54-58 °C(lit.)
• Refractive Index: 1.4444 (estimate)
• Boiling Point: 227 °C at 760 mmHg
• PKA: 15.18±0.10(Predicted)
• Flash Point: 73.5 °C
• PSA: 46.25000
• Density: 0.91 g/cm³
• LogP: 1.19810
• Storage Temp.: Store at?0-5°C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: MISCIBLE
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 117.115364102
• Heavy Atom Count: 8
• Complexity: 39.5

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amino Alcohols, Other
• Canonical SMILES: C(CCCO)CCN
• Uses: 6-Amino-1-hexanol is used in the synthesis of guanidino analogs of roscovitine, which is a cyclin-dependant kinase. Also used in the preparation of tocotrienols which maintain anticancer, antiprolifer ative and antimigratory activity. Behery, F 6-Amino-1-hexanol is used as pharmaceutical intermediate. 6-Amino-1-hexanol can undergo cyclization over copper supported on γ-alumina and magnesia to form hexahydro-1H-azepine. It may be used along with glutaric acid to generate poly(ester amide)s with excellent film- and fiber forming properties.

Technology Process of 6-Amino-1-hexanol

There total 26 articles about 6-Amino-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: 96.0%

6-aminohexanoic acid (60-32-2,93208-38-9) → 6-amino-1-hexanol (4048-33-3)

Guidance literature:

6-aminohexanoic acid; With sodium tetrahydroborate; at 40 ℃; for 0.333333h; Sonication;

In ethylene glycol; at 90 ℃; for 16.5h; Reflux;

With water; In ethylene glycol; Temperature;

Reference yield: 95.0%

N-benzyloxycarbonyl-6-amino-1-hexanol (17996-12-2) → 6-amino-1-hexanol (4048-33-3)

Guidance literature:

With lithium borohydride; chloro-trimethyl-silane; In tetrahydrofuran; for 24h; Ambient temperature;

Reference yield: 87.2%

caprolactam (105-60-2,9012-16-2) → 6-amino-1-hexanol (4048-33-3)

Guidance literature:

caprolactam; With sodium hydroxide; In toluene; at 80 ℃;

In toluene; at 100 ℃; for 16h;

With ammonium chloride; for 0.25h; Temperature;

upstream raw materials:

caprolactam

hexamethylene imine

ethyl 6-aminohexanoate

6-acetoxy-hexanenitrile

Downstream raw materials:

N-(6-hydroxyhexyl)benzamide

6-phthalimido-1-hexanol

6-(2-Methoxy-benzylamino)-hexan-1-ol

6-azidohexan-1-ol

Refernces

• 1、 October, Jacquin,Mapolie, Selwyn F.. "Sequential hydroaminomethylation/Pd-catalyzed hydrogenolysis as an atom efficient route to valuable primary and secondary amines". supporting information. . Retrieved 2021/04/12.
• 2、 -. "Method for preparing aliphatic amine compound". Paragraph 0068-0070. . Retrieved 2020/05/14.