1,4-Thiazepin-5(2H)-one, 6-aminotetrahydro-2-phenyl-, (2S-cis)-

Base Information

Chemical Name:1,4-Thiazepin-5(2H)-one, 6-aminotetrahydro-2-phenyl-, (2S-cis)-
CAS No.:110221-25-5
Molecular Formula:C₁₁H₁₄N₂OS
Molecular Weight:222.311
Hs Code.:
DSSTox Substance ID:DTXSID201174218

Synonyms:DTXSID201174218;1,4-Thiazepin-5(2H)-one, 6-aminotetrahydro-2-phenyl-, (2S-cis)-;110221-25-5

Suppliers and Price of 1,4-Thiazepin-5(2H)-one, 6-aminotetrahydro-2-phenyl-, (2S-cis)-

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

Total 0 raw suppliers

Chemical Property of 1,4-Thiazepin-5(2H)-one, 6-aminotetrahydro-2-phenyl-, (2S-cis)-

Chemical Property:

XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:222.08268425
Heavy Atom Count:15
Complexity:229

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(SCC(C(=O)N1)N)C2=CC=CC=C2
Isomeric SMILES:C1[C@@H](SC[C@@H](C(=O)N1)N)C2=CC=CC=C2

Technology Process of 1,4-Thiazepin-5(2H)-one, 6-aminotetrahydro-2-phenyl-, (2S-cis)-

There total 4 articles about 1,4-Thiazepin-5(2H)-one, 6-aminotetrahydro-2-phenyl-, (2S-cis)- 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: 32.0%

: 110143-54-9,110221-69-7,111902-60-4
(2RS,6R)-6-<(tert-butoxycarbonyl)amino>-2-phenylperhydro-1,4-thiazepin-5-one

: 110221-25-5
(2S,6R)-6-amino-2-phenylperhydro-1,4-thiazepin-5-one

: 110143-55-0
(2R,6R)-6-amino-2-phenylperhydro-1,4-thiazepin-5-one

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; for 4h; Yields of byproduct given; Ambient temperature;
DOI:10.1021/jm00394a009

Reference yield:

: 5153-67-3
nitrostyrene

: 110221-25-5
(2S,6R)-6-amino-2-phenylperhydro-1,4-thiazepin-5-one

Guidance literature:: Multi-step reaction with 4 steps

1: N-methylmorpholine / toluene / 16 h / Ambient temperature

2: 51 percent / H₂, AcOH / 5percent Pd/C / 5 h / 70 °C / 2280 Torr

3: 78 percent / diphenyl phosphorazidate, N-methylmorpholine / dimethylformamide / 16 h / Ambient temperature

4: 32 percent / 4 N aq. HCl / dioxane / 4 h / Ambient temperature

With 4-methyl-morpholine; hydrogenchloride; diphenyl phosphoryl azide; hydrogen; acetic acid; palladium on activated charcoal; In 1,4-dioxane; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm00394a009

Reference yield:

: 58083-14-0
N-(tert-butoxycarbonyl)-S-<(RS)-2-nitro-1-phenylethyl>-L-cysteine

: 110221-25-5
(2S,6R)-6-amino-2-phenylperhydro-1,4-thiazepin-5-one

Guidance literature:: Multi-step reaction with 3 steps

1: 51 percent / H₂, AcOH / 5percent Pd/C / 5 h / 70 °C / 2280 Torr

2: 78 percent / diphenyl phosphorazidate, N-methylmorpholine / dimethylformamide / 16 h / Ambient temperature

3: 32 percent / 4 N aq. HCl / dioxane / 4 h / Ambient temperature

With 4-methyl-morpholine; hydrogenchloride; diphenyl phosphoryl azide; hydrogen; acetic acid; palladium on activated charcoal; In 1,4-dioxane; N,N-dimethyl-formamide;
DOI:10.1021/jm00394a009