Carbamic acid, 1,1-dimethylethyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-

Base Information

Chemical Name:Carbamic acid, 1,1-dimethylethyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-
CAS No.:139760-89-7
Molecular Formula:C19H28N2O2
Molecular Weight:316.4378
Hs Code.:
DSSTox Substance ID:DTXSID90930584
Nikkaji Number:J482.753H
Wikidata:Q76278634
ChEMBL ID:CHEMBL1085126
Mol file:139760-89-7.mol

Synonyms:BRN 5449163;CHEMBL1085126;139760-89-7;Carbamic acid, 1,1-dimethylethyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-;DTXSID90930584;BDBM50318748;LS-49560;(3aS,8aR)-1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl tert-butylcarbamate;1-Ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl hydrogen tert-butylcarbonimidate;1-Ethyl-5-(tert-butylcarbamoyloxy)-3aalpha-methyl-1,2,3,3a,8,8aalpha-hexahydroindeno[2,1-b]pyrrole

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Chemical Property of Carbamic acid, 1,1-dimethylethyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-

Chemical Property:

Vapor Pressure:1.37E-06mmHg at 25°C
Boiling Point:399.4°Cat760mmHg
Flash Point:195.4°C
Density:1.083g/cm³
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:316.215078140
Heavy Atom Count:23
Complexity:459

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1CCC2(C1CC3=C2C=C(C=C3)OC(=O)NC(C)(C)C)C
Isomeric SMILES:CCN1CC[C@@]2([C@H]1CC3=C2C=C(C=C3)OC(=O)NC(C)(C)C)C

Technology Process of Carbamic acid, 1,1-dimethylethyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-

There total 8 articles about Carbamic acid, 1,1-dimethylethyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, 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:

: 39160-50-4
5-Methoxy-3a-methyl-1,3,3a,8a-tetrahydro-indeno[2,1-b]pyrrole-2,8-dione

: 139760-89-7
tert-Butyl-carbamic acid 1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydro-indeno[2,1-b]pyrrol-5-yl ester

Guidance literature:: Multi-step reaction with 6 steps

1: H₂, HCl(gas) / 10percent Pd/C / acetic acid / 4 h / 70 °C / 2844.3 Torr

2: 90 percent / LiAlH₄ / tetrahydrofuran / 5 h / Heating

3: 100 percent / pyridine / CH₂Cl₂ / 1 h / Ambient temperature

4: 1.) BH₃-Me₂S, 2.) concd. HCl / 1.) THF, reflux, 3 h, 2.) THF, methanol, RT, overnight

5: 89 percent / 48percent aq. HBr / 4 h / Heating

6: NaH / benzene / 2 h / Ambient temperature

With pyridine; hydrogenchloride; lithium aluminium tetrahydride; dimethylsulfide borane complex; hydrogen bromide; hydrogen; sodium hydride; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; acetic acid; benzene;
DOI:10.1021/jm00086a011

Reference yield:

: 39160-49-1
{2-[(E)-Hydroxyimino]-6-methoxy-1-methyl-3-oxo-indan-1-yl}-acetic acid methyl ester

: 139760-89-7
tert-Butyl-carbamic acid 1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydro-indeno[2,1-b]pyrrol-5-yl ester

Guidance literature:: Multi-step reaction with 7 steps

1: 80 percent / H₂, HCl(gas) / 10percent Pd/C / acetic acid / 4 h / 2585.7 Torr / Heating

2: H₂, HCl(gas) / 10percent Pd/C / acetic acid / 4 h / 70 °C / 2844.3 Torr

3: 90 percent / LiAlH₄ / tetrahydrofuran / 5 h / Heating

4: 100 percent / pyridine / CH₂Cl₂ / 1 h / Ambient temperature

5: 1.) BH₃-Me₂S, 2.) concd. HCl / 1.) THF, reflux, 3 h, 2.) THF, methanol, RT, overnight

6: 89 percent / 48percent aq. HBr / 4 h / Heating

7: NaH / benzene / 2 h / Ambient temperature

With pyridine; hydrogenchloride; lithium aluminium tetrahydride; dimethylsulfide borane complex; hydrogen bromide; hydrogen; sodium hydride; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; acetic acid; benzene;
DOI:10.1021/jm00086a011

Reference yield:

: 39160-60-6
5-Methoxy-3a-methyl-1,2,3,3a,8,8a-hexahydro-indeno[2,1-b]pyrrole

: 139760-89-7
tert-Butyl-carbamic acid 1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydro-indeno[2,1-b]pyrrol-5-yl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 100 percent / pyridine / CH₂Cl₂ / 1 h / Ambient temperature

2: 1.) BH₃-Me₂S, 2.) concd. HCl / 1.) THF, reflux, 3 h, 2.) THF, methanol, RT, overnight

3: 89 percent / 48percent aq. HBr / 4 h / Heating

4: NaH / benzene / 2 h / Ambient temperature

With pyridine; hydrogenchloride; dimethylsulfide borane complex; hydrogen bromide; sodium hydride; In dichloromethane; benzene;
DOI:10.1021/jm00086a011