DJ7ZL6Xvm7

Base Information

Chemical Name:DJ7ZL6Xvm7
CAS No.:245514-32-3
Molecular Formula:C₂₂H₂₃N₃O₂
Molecular Weight:361.444
Hs Code.:
UNII:DJ7ZL6XVM7
Nikkaji Number:J1.152.897J
Wikidata:Q76414578
Pharos Ligand ID:DFGS6PV2D4ST
ChEMBL ID:CHEMBL62823

Synonyms:N-(4-(2-(8-cyano-1,3a,4,9b-tetrahydro(1)benzopyrano(3,4-c)pyrrol-2(3H)-yl)ethyl)phenyl)acetamide;S 33138;S-33138;S33138

Suppliers and Price of DJ7ZL6Xvm7

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 2 raw suppliers

Chemical Property of DJ7ZL6Xvm7

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:361.17902698
Heavy Atom Count:27
Complexity:577

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)NC1=CC=C(C=C1)CCN2CC3COC4=C(C3C2)C=C(C=C4)C#N
Isomeric SMILES:CC(=O)NC1=CC=C(C=C1)CCN2C[C@H]3COC4=C([C@@H]3C2)C=C(C=C4)C#N
Recent EU Clinical Trials:A randomised, double-blind, placebo- and olanzapine- controlled, parallel-group study to evaluate the efficacy and safety of 3 fixed doses of S 33138 in treatment of patients with an acute episode of Schizophrenia. A phase IIb, international, multicentre, 8-week study

Technology Process of DJ7ZL6Xvm7

There total 20 articles about DJ7ZL6Xvm7 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:

: 2-benzyl-8-bromo-1,2,3,3a,4,9b-hexahydro-5-oxa-2-aza-cyclopenta[a]naphthalene

: 220647-56-3,245514-32-3
S₃₃₁₃₈

Guidance literature:: Multi-step reaction with 3 steps

1: Pd(Ph₃P)4 / dimethylformamide / 80 °C

2: H₂, HCl / Pd/C / ethanol / 40 °C

3: NaBH(OAc)3 / 1,2-dichloro-ethane

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; sodium tris(acetoxy)borohydride; palladium on activated charcoal; In ethanol; 1,2-dichloro-ethane; N,N-dimethyl-formamide;
DOI:10.1016/S0960-894X(99)00312-1

Reference yield:

: 2-benzyl-8-bromo-1,2,3,3a,4,9b-hexahydro-5-oxa-2-aza-cyclopenta[a]naphthalene

: 220647-56-3,245514-32-3
S₃₃₁₃₈

Guidance literature:: Multi-step reaction with 4 steps

2: Pd(Ph₃P)4 / dimethylformamide / 80 °C

3: H₂, HCl / Pd/C / ethanol / 40 °C

4: NaBH(OAc)3 / 1,2-dichloro-ethane

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; sodium tris(acetoxy)borohydride; palladium on activated charcoal; In ethanol; 1,2-dichloro-ethane; N,N-dimethyl-formamide;
DOI:10.1016/S0960-894X(99)00312-1

Reference yield:

: 2-benzyl-8-bromo-1,2,3,3a,4,9b-hexahydro-5-oxa-2-aza-cyclopenta[a]naphthalene

: 220647-56-3,245514-32-3
N-{4-[2-(8-cyano-1,3a,4,9b-tetrahydro-3H-5-oxa-2-aza-cyclopenta[a]naphthalen-2-yl)-ethyl]-phenyl}-acetamide

Guidance literature:: Multi-step reaction with 4 steps

2: Pd(Ph₃P)4 / dimethylformamide / 80 °C

3: H₂, HCl / Pd/C / ethanol / 40 °C

4: NaBH(OAc)3 / 1,2-dichloro-ethane

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; sodium tris(acetoxy)borohydride; palladium on activated charcoal; In ethanol; 1,2-dichloro-ethane; N,N-dimethyl-formamide;
DOI:10.1016/S0960-894X(99)00312-1