X3VA2E83ZV

Base Information Edit

Chemical Name:X3VA2E83ZV
CAS No.:211046-98-9
Molecular Formula:C16H17Cl2NO2
Molecular Weight:326.222
Hs Code.:
UNII:X3VA2E83ZV
Nikkaji Number:J1.073.279D
Mol file:211046-98-9.mol

Synonyms:X3VA2E83ZV;UNII-X3VA2E83ZV;O1109;O-1109;Methyl (1R,5S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo(3.2.1)oct-2-ene-2-carboxylate;211046-98-9;8-Azabicyclo(3.2.1)oct-2-ene-2-carboxylic acid, 3-(3,4-dichlorophenyl)-8-methyl-, methyl ester, (1R,5S)-;(1beta,5beta)-3-(3,4-Dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octa-2-ene-2-carboxylic acid methyl ester

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of X3VA2E83ZV Edit

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:325.0636342
Heavy Atom Count:21
Complexity:465

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C2CCC1C(=C(C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC
Isomeric SMILES:CN1[C@H]2CC[C@@H]1C(=C(C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC

Technology Process of X3VA2E83ZV

There total 5 articles about X3VA2E83ZV 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: 96.0%

: 168143-65-5
methyl (1R,5S)-8-methyl-3-(((trifluoromethyl)sulfonyl)oxy)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

: 151169-75-4
3,4-dichlophenylboronic acid

: 211046-98-9
O-1109

Guidance literature:: methyl (1R,5S)-8-methyl-3-(((trifluoromethyl)sulfonyl)oxy)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate; 3,4-dichlophenylboronic acid; With sodium carbonate; lithium chloride; In water; at 20 ℃; for 0.5h; Inert atmosphere;

With bis(dibenzylideneacetone)-palladium⁽⁰⁾; In water; for 2h; Reagent/catalyst; Reflux;
DOI:10.1021/jacs.0c00861

Reference yield:

: 85506-18-9
(1R)-(-)-2-carbomethoxy-3-tropinone

: 211046-98-9
O-1109

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium bistrimethylsilylamide / tetrahydrofuran / 0.5 h / -78 °C

1.2: 97 percent / tetrahydrofuran / -78 - 22 °C

2.1: 83 percent / LiCl; aq. Na₂CO₃; Pd₂dba3 / various solvent(s) / 3 h / Heating

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium hexamethyldisilazane; sodium carbonate; lithium chloride; In tetrahydrofuran; 2.1: Suzuki coupling;
DOI:10.1021/jm0301484

Reference yield:

: 156856-80-3
(+)-(Methoxycarbonyl)tropinone

: 211046-98-9
O-1109

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium bis(trimethylsilyl)amide / tetrahydrofuran / 0.5 h / -78 °C

1.2: 78 percent / tetrahydrofuran / -78 - 20 °C

2.1: 83 percent / LiCl; tris(dibenzylideneacetone)dipalladium⁽⁰⁾; Na₂CO₃ / various solvent(s) / 1 h / Heating

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium hexamethyldisilazane; sodium carbonate; lithium chloride; In tetrahydrofuran; 1.1: Metallation / 1.2: Substitution / 2.1: Substitution;
DOI:10.1016/S0968-0896(99)00322-3