N-[4-[2-[(3Ar,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]phenyl]acetamide

Base Information

Chemical Name:N-[4-[2-[(3Ar,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]phenyl]acetamide
CAS No.:220647-56-3
Molecular Formula:C₂₂H₂₃N₃O₂
Molecular Weight:361.444
Hs Code.:
DSSTox Substance ID:DTXSID20431332
Nikkaji Number:J1.152.896A
Wikidata:Q82245187
Pharos Ligand ID:DFGGQJ82V5C2
ChEMBL ID:CHEMBL418671
Mol file:220647-56-3.mol

Synonyms:220647-56-3;rac S 33138;CHEMBL418671;N-[4-[2-[(3Ar,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]phenyl]acetamide;SCHEMBL7390796;DTXSID20431332;ZDZWIQDJFWTDAM-NQIIRXRSSA-N;BDBM50342716;N-(4-(2-((3aR,9bS)-8-cyano-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl)ethyl)phenyl)acetamide;N-(4-(2-((3ar,9bs)-8-cyano-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrrol-2(3h)-yl)ethyl)phenyl)acetamide;N-(4-(2-((3aS,9bR)-8-Cyano-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl)ethyl)phenyl)acetamide;N-{4-[2-((3aR,9bS)-8-Cyano-1,3a,4,9b-tetrahydro-3H-chromeno[3,4-c]pyrrol-2-yl)-ethyl]-phenyl}-acetamide

Suppliers and Price of N-[4-[2-[(3Ar,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]phenyl]acetamide

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

TRC
rac-S33138
5mg
$ 350.00

Total 3 raw suppliers

Chemical Property of N-[4-[2-[(3Ar,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]phenyl]acetamide

Chemical Property:

PSA：68.85000
LogP:3.75458
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

rac-S33138 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

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
Uses A preferential dopamine D3 versus D2 receptor antagonist and potential antipsychotic agent; it does not interact with histamine H1 and muscarinic receptors. Rac-S 33138 is the racemate of S 33138 (S080700), which acts as a preferential dopamine D3 versus D2 receptor antagonist and potential antipsychotic agent; it does not interact with histamine H1 and muscarinic receptors. Rac-S 33138 is a novel benzopyrano[3,4-c]pyrrole derivative that acts as a potent and selective dopamine D3 receptor antagonist.

Technology Process of N-[4-[2-[(3Ar,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]phenyl]acetamide

There total 20 articles about N-[4-[2-[(3Ar,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]ethyl]phenyl]acetamide 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