(S)-3-Aminoazepan-2-one hydrochloride

Base Information

Chemical Name:(S)-3-Aminoazepan-2-one hydrochloride
CAS No.:26081-07-2
Molecular Formula:C₆H₁₂N₂O*ClH
Molecular Weight:164.635
Hs Code.:2933790090
European Community (EC) Number:844-256-9
DSSTox Substance ID:DTXSID50481421
Mol file:26081-07-2.mol

Synonyms:26081-07-2;(S)-3-Aminoazepan-2-one hydrochloride;(S)-3-AMINO-2-OXO-AZEPANE HCL;(S)-3-AMINO-AZEPAN-2-ONE HYDROCHLORIDE;(S)-3-Amino-2-oxo-azepane hydrochloride;(3S)-3-aminoazepan-2-one;hydrochloride;(s)-3-aminoazepan-2-one hcl;l-alpha-amino-epsilon-caprolactam hydrochloride;MFCD02683418;(3S)-3-aminoazepan-2-one hydrochloride;2H-Azepin-2-one, 3-aminohexahydro-, hydrochloride (1:1), (3S)-;L-Lysine lactam (hydrochloride);L-Lysine lactam hydrochloride;L(-)-Alpha-Amino-Epsilon-Caprolactam;2H-Azepin-2-one, 3-aminohexahydro-, monohydrochloride, (3S)-;3-AMINOHEXAHYDRO-2H-AZEPIN-2-ONE HYDROCHLORIDE;SCHEMBL1114699;DTXSID50481421;LWXJCGXAYXXXRU-JEDNCBNOSA-N;BCP01251;(S)-3-Aminoazepan-2-onehydrochloride;AKOS007930009;AKOS015998880;CS-W016082;(5)-3-amino-azepan-2-one hydrochloride;(S)-3-Amino-hexahydro-2-azepinone HCl;AC-29490;AS-44383;A15430;A56019;L-(-)-alpha-Amino-?-caprolactam hydrochloride;EN300-1694077;J-016246;(3S)-3-Aminoazepan-2-one--hydrogen chloride (1/1);L-(-)- alpha -Amino- epsilon -caprolactam hydrochloride;L-(-)-alpha-Amino-epsilon-caprolactam hydrochloride, >=97.0% (AT)

Suppliers and Price of (S)-3-Aminoazepan-2-one hydrochloride

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

Sigma-Aldrich
L-(?)-α-Amino-ω-caprolactam hydrochloride ≥97.0% (AT)
5g
$ 464.00

Sigma-Aldrich
L-(?)-α-Amino-ω-caprolactam hydrochloride ≥97.0% (AT)
1g
$ 106.00

J&W Pharmlab
(S)-3-Amino-azepan-2-onehydrochloride 97%
25g
$ 720.00

J&W Pharmlab
(S)-3-Amino-azepan-2-onehydrochloride 97%
1g
$ 45.00

J&W Pharmlab
(S)-3-Amino-azepan-2-onehydrochloride 97%
5g
$ 198.00

Crysdot
(S)-3-Aminoazepan-2-onehydrochloride 95+%
10g
$ 298.00

Crysdot
(S)-3-Aminoazepan-2-onehydrochloride 95+%
5g
$ 178.00

Crysdot
(S)-3-Aminoazepan-2-onehydrochloride 95+%
1g
$ 59.00

Biosynth Carbosynth
(S)-3-Aminoazepan-2-one hydrochloride
500 mg
$ 100.00

Biosynth Carbosynth
(S)-3-Aminoazepan-2-one hydrochloride
1 g
$ 150.00

Total 33 raw suppliers

Chemical Property of (S)-3-Aminoazepan-2-one hydrochloride

Chemical Property:

Vapor Pressure:6.17E-05mmHg at 25°C
Melting Point:>270 °C
Boiling Point:340.3 °C at 760 mmHg
Flash Point:159.6 °C
PSA：55.12000
LogP:1.44490
Storage Temp.:2-8°C
Solubility.:Aqueous Acid (Sparingly), DMSO (Slightly) Methanol (Slightly), Water (Slightly)
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:164.0716407
Heavy Atom Count:10
Complexity:114

Purity/Quality:

98% ^*data from raw suppliers

L-(?)-α-Amino-ω-caprolactam hydrochloride ≥97.0% (AT) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1CCNC(=O)C(C1)N.Cl
Isomeric SMILES:C1CCNC(=O)[C@H](C1)N.Cl
Uses L-(?)-α-Amino-ε-caprolactam hydrochloride can be used to introduce caprolactam moiety during the total synthesis of bengamides, which are bioactive compounds naturally found in marine sponges.

Technology Process of (S)-3-Aminoazepan-2-one hydrochloride

There total 5 articles about (S)-3-Aminoazepan-2-one hydrochloride 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: 75.0%

: 657-27-2,10098-89-2,26124-78-7
L-Lysine hydrochloride

: 26081-03-8,26081-07-2,29110-16-5,29426-64-0,40862-36-0,99560-25-5
(S)-3-aminocaprolactam hydrochloride

Guidance literature:: L-Lysine hydrochloride; With sodium hydroxide; In hexan-1-ol; for 8h; Heating / reflux; Dean-Stark trap;

With hydrogenchloride; In water; at 20 ℃; pH=6; Product distribution / selectivity;

Reference yield: 66.0%

: 13515-95-2,15445-34-8,26348-70-9,34015-48-0,67396-08-1,130336-19-5
lysine methyl ester dihydrochloride

: 26081-03-8,26081-07-2,29110-16-5,29426-64-0,40862-36-0,99560-25-5
(S)-3-aminocaprolactam hydrochloride

Guidance literature:: lysine methyl ester dihydrochloride; With sodium methylate; In methanol; at 20 ℃; for 4h; Inert atmosphere; Reflux;

With hydrogenchloride; In ethanol;
DOI:10.3987/COM-17-13683

Reference yield:

: 56-87-1,3506-25-0
L-lysine

: 26081-03-8,26081-07-2,29110-16-5,29426-64-0,40862-36-0,99560-25-5
(S)-3-aminocaprolactam hydrochloride

: 99560-25-5
(R)-3-aminoazepan-2-one hydrochloride

Guidance literature:: L-lysine; With tris(2,2,2-trifluoroethyl) borate; for 24h; Reflux; Dean-Stark; Green chemistry;

With hydrogenchloride; In diethyl ether; Overall yield = 29 %; Overall yield = 740 mg; chemoselective reaction; Green chemistry;
DOI:10.1002/chem.201800372