N-Phenylazepan-4-amine

Base Information

Chemical Name:N-Phenylazepan-4-amine
CAS No.:74134-07-9
Molecular Formula:C12H18N2
Molecular Weight:190.288
Hs Code.:2933990090
DSSTox Substance ID:DTXSID10506189
Mol file:74134-07-9.mol

Synonyms:N-Phenylazepan-4-amine;74134-07-9;1H-Azepin-4-amine, hexahydro-N-phenyl-;SCHEMBL4965283;DTXSID10506189;AKOS016013864

Suppliers and Price of N-Phenylazepan-4-amine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
N-Phenylazepan-4-amine 95+%
1g
$ 668.00

Chemenu
N-phenylazepan-4-amine 95%
1g
$ 631.00

American Custom Chemicals Corporation
N-PHENYLAZEPAN-4-AMINE 95.00%
5MG
$ 504.26

Total 4 raw suppliers

Chemical Property of N-Phenylazepan-4-amine

Chemical Property:

Melting Point:52-54 °C
Boiling Point:130-133 °C(Press: 0.5 Torr)
PKA:10.48±0.40(Predicted)
PSA：24.06000
Density:1.027±0.06 g/cm3(Predicted)
LogP:2.64240
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:190.146998583
Heavy Atom Count:14
Complexity:152

Purity/Quality:

99% ^*data from raw suppliers

N-Phenylazepan-4-amine 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(CCNC1)NC2=CC=CC=C2

Technology Process of N-Phenylazepan-4-amine

There total 7 articles about N-Phenylazepan-4-amine 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: 85.0%

: 74134-06-8
1-(carbethoxy)-4-anilinoperhydroazepine

: 74134-07-9
4-anilinoperhydroazepine

Guidance literature:: With hydrogen bromide; for 3h; Heating;
DOI:10.1002/jhet.5570290417 DOI:10.1021/jm00182a016

Reference yield:

: 19786-58-4
5-oxoazepane-1,4-dicarboxylic acid diethyl ester

: 74134-07-9
4-anilinoperhydroazepine

Guidance literature:: Multi-step reaction with 5 steps

1: 4 N HCl / 6 h / Heating

2: 30percent aq. K₂CO₃ / 4 h / -5 °C

3: ZnCl₂ / toluene / 15 h / Heating

4: NaBH₄ / methanol / 1 h / Heating

5: 85 percent / 48percent HBr / 3 h / Heating

With hydrogenchloride; sodium tetrahydroborate; hydrogen bromide; potassium carbonate; zinc(II) chloride; In methanol; toluene;
DOI:10.1021/jm00182a016

Reference yield:

: 29976-53-2
N-ethoxycarbonyl-4-piperidone

: 74134-07-9
4-anilinoperhydroazepine

Guidance literature:: Multi-step reaction with 6 steps

1: 52.5 g / BF₃*Et₂O / diethyl ether / 1 h / -30 - -25 °C

2: 4 N HCl / 6 h / Heating

3: 30percent aq. K₂CO₃ / 4 h / -5 °C

4: ZnCl₂ / toluene / 15 h / Heating

5: NaBH₄ / methanol / 1 h / Heating

6: 85 percent / 48percent HBr / 3 h / Heating

With hydrogenchloride; sodium tetrahydroborate; boron trifluoride diethyl etherate; hydrogen bromide; potassium carbonate; zinc(II) chloride; In methanol; diethyl ether; toluene;
DOI:10.1021/jm00182a016