3-Azepan-1-ylpropan-1-ol

Base Information

• Chemical Name: 3-Azepan-1-ylpropan-1-ol
• CAS No.: 29194-89-6
• Molecular Formula: C9H19NO
• Molecular Weight: 157.256
• Hs Code.: 2933990090
• European Community (EC) Number: 803-424-1
• DSSTox Substance ID: DTXSID60441657
• Wikidata: Q82258518
• Mol file: 29194-89-6.mol

Synonyms:3-Azepan-1-ylpropan-1-ol;3-(azepan-1-yl)propan-1-ol;29194-89-6;CHEMBRDG-BB 4010638;N-(3-hydroxypropyl)azepane;3-(1-Azepanyl)-1-propanol;SCHEMBL1098241;DTXSID60441657;KXFQCMKAQXWNSL-UHFFFAOYSA-N;MFCD08059808;AKOS009029979;3-Azepan-1-ylpropan-1-ol, AldrichCPR;BS-35893;3-(Hexahydro-1H-azepin-1-yl)-1-propanol;CS-0271735;FT-0704804;EN300-1247844

Chemical Property of 3-Azepan-1-ylpropan-1-ol

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: 258.178oC at 760 mmHg
• Flash Point: 113.412oC
• PSA: 23.47000
• Density: 0.943g/cm3
• LogP: 1.18270
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 157.146664230
• Heavy Atom Count: 11
• Complexity: 87.6

Purity/Quality:

99% ^*data from raw suppliers

3-azepan-1-ylpropan-1-ol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 36-50/53
• Safety Statements: 26-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)CCCO

Technology Process of 3-Azepan-1-ylpropan-1-ol

There total 7 articles about 3-Azepan-1-ylpropan-1-ol 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: 78.0%

C9H16NO(1+)*BF4(1-) → 1-(3-hydroxypropyl)hexahydro-1H-azepine (29194-89-6)

Guidance literature:

With sodium tetrahydroborate;

DOI:10.1021/jo951953w

Reference yield: 60.0%

hexamethylene imine (111-49-9) + 1-chloro-3-hydroxypropane (627-30-5) → 1-(3-hydroxypropyl)hexahydro-1H-azepine (29194-89-6)

Guidance literature:

With potassium carbonate; In acetonitrile; for 10h; Reflux;

DOI:10.1016/j.bmc.2009.03.014

Reference yield: 10.0%

→ 1-(3-hydroxypropyl)hexahydro-1H-azepine (29194-89-6)

Guidance literature:

upstream raw materials:

hexamethylene imine

sodium allyloxide

1-bromo-3-propanol

1-chloro-3-hydroxypropane

Downstream raw materials:

1-chloro-3-(perhydroazepin-1-yl)propane hydrochloride

methyl (4-{[3-(hexahydro-1H-azepin-1-yl)propyl]oxy}phenyl)acetate

ethyl 3-(4-{[3-(hexahydro-1H-azepin-1-yl)propyl]oxy}phenyl)propanoate

methyl 5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)pentanoate