(S)-tert-Butyl azepan-3-ylcarbamate

Base Information

Chemical Name:(S)-tert-Butyl azepan-3-ylcarbamate
CAS No.:213990-48-8
Molecular Formula:C₁₁H₂₂N₂O₂
Molecular Weight:214.308
Hs Code.:
European Community (EC) Number:874-947-0
DSSTox Substance ID:DTXSID10445382
Wikidata:Q82263757
Mol file:213990-48-8.mol

Synonyms:(S)-tert-Butyl azepan-3-ylcarbamate;213990-48-8;Tert-butyl N-[(3S)-azepan-3-yl]carbamate;(S)-tert-Butylazepan-3-ylcarbamate;tert-butyl (3S)-azepan-3-ylcarbamate;(S)-3-N-Boc-aminoazepane;SCHEMBL4705107;DTXSID10445382;NZEPWAXJSWYEDV-VIFPVBQESA-N;MFCD18831516;(5)-tert-Butyl azepan-3-ylcarbamate;DS-6371;AC-30448;CS-0054546;A879125

Suppliers and Price of (S)-tert-Butyl azepan-3-ylcarbamate

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

J&W Pharmlab
(S)-3-Boc-amino-azepane 98%
5g
$ 2760.00

Crysdot
(S)-tert-Butylazepan-3-ylcarbamate 97%
5g
$ 2670.00

Crysdot
(S)-tert-Butylazepan-3-ylcarbamate 97%
1g
$ 890.00

Chemenu
(R)-3-Boc-amino-azepane 97%
5g
$ 2258.00

Chemenu
(R)-3-Boc-amino-azepane 97%
1g
$ 645.00

American Custom Chemicals Corporation
(S)-TERT-BUTYL AZEPAN-3-YLCARBAMATE 95.00%
1G
$ 879.90

American Custom Chemicals Corporation
(S)-TERT-BUTYL AZEPAN-3-YLCARBAMATE 95.00%
5MG
$ 502.04

Ambeed
(S)-tert-Butylazepan-3-ylcarbamate 97%
100mg
$ 188.00

Ambeed
(S)-tert-Butylazepan-3-ylcarbamate 97%
50mg
$ 141.00

Ambeed
(S)-tert-Butylazepan-3-ylcarbamate 97%
250mg
$ 299.00

Total 18 raw suppliers

Chemical Property of (S)-tert-Butyl azepan-3-ylcarbamate

Chemical Property:

Boiling Point:322.7±31.0 °C(Predicted)
PKA:12.37±0.20(Predicted)
PSA：53.85000
Density:1.01±0.1 g/cm3(Predicted)
LogP:2.18640
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:214.168127949
Heavy Atom Count:15
Complexity:211

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-Boc-amino-azepane 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC1CCCCNC1
Isomeric SMILES:CC(C)(C)OC(=O)N[C@H]1CCCCNC1

Technology Process of (S)-tert-Butyl azepan-3-ylcarbamate

There total 6 articles about (S)-tert-Butyl azepan-3-ylcarbamate 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: 98.0%

: 860354-53-6
benzyl (3S)-3-[(tert-butoxycarbonyl)amino]azepane-1-carboxylate

: 213990-48-8,1354351-56-6
tert-butyl (3S)-azepan-3-ylcarbamate

Guidance literature:: With hydrogen; palladium dihydroxide; In methanol; at 18 - 25 ℃;

Reference yield:

: 1026172-68-8
Methanesulfonic acid (S)-2-tert-butoxycarbonylamino-6-methanesulfonyloxy-hexyl ester

: 213990-48-8,1354351-56-6
tert-butyl (3S)-azepan-3-ylcarbamate

Guidance literature:: With ammonium hydroxide; In acetonitrile; for 48h; Yield given; Ambient temperature;
DOI:10.1080/00397919808004949

Reference yield:

: 1118-90-7
L-homoglutamic acid

: 213990-48-8,1354351-56-6
tert-butyl (3S)-azepan-3-ylcarbamate

Guidance literature:: Multi-step reaction with 5 steps

1: H₂SO₄ / 2 h / Heating

2: Et₃N / dioxane; H₂O / 2 h / 0 °C

3: NaBH₄, CaCl₂ / ethanol / 2 h / 0 °C

4: Et₃N / CH₂Cl₂ / 1 h / -10 - 0 °C

5: aq. NH₄OH / acetonitrile / 48 h / Ambient temperature

With ammonium hydroxide; sodium tetrahydroborate; sulfuric acid; triethylamine; calcium chloride; In 1,4-dioxane; ethanol; dichloromethane; water; acetonitrile;
DOI:10.1080/00397919808004949