Decahydro-6-(2H-tetrazol-5-ylmethyl)-3-isoquinolinecarboxylic acid

Base Information

Chemical Name:Decahydro-6-(2H-tetrazol-5-ylmethyl)-3-isoquinolinecarboxylic acid
CAS No.:143343-70-8
Molecular Formula:C₁₂H₁₉N₅O₂
Molecular Weight:265.315
Hs Code.:
DSSTox Substance ID:DTXSID60929566
Nikkaji Number:J408.230C
Wikidata:Q27082671

Synonyms:decahydro-6-(2H-tetrazol-5-ylmethyl)-3-isoquinolinecarboxylic acid;LY 233536;LY 233536, 3S-(3alpha,4aalpha,6beta,8aalpha)-isomer;LY-233536;LY233536

Suppliers and Price of Decahydro-6-(2H-tetrazol-5-ylmethyl)-3-isoquinolinecarboxylic acid

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Decahydro-6-(2H-tetrazol-5-ylmethyl)-3-isoquinolinecarboxylic acid

Chemical Property:

XLogP3:-1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:265.15387487
Heavy Atom Count:19
Complexity:340

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC2CNC(CC2CC1CC3=NNN=N3)C(=O)O
Isomeric SMILES:C1C[C@@H]2CN[C@H](C[C@@H]2C[C@@H]1CC3=NNN=N3)C(=O)O

Technology Process of Decahydro-6-(2H-tetrazol-5-ylmethyl)-3-isoquinolinecarboxylic acid

There total 16 articles about Decahydro-6-(2H-tetrazol-5-ylmethyl)-3-isoquinolinecarboxylic acid 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:

: (3S,4aR,8aR)-6-[1-(1H-Tetrazol-5-yl)-meth-(E)-ylidene]-decahydro-isoquinoline-3-carboxylic acid

: 128073-45-0,136845-59-5,137566-35-9,143343-70-8,143343-71-9,143343-73-1,143343-76-4,143343-77-5,147331-89-3,147331-90-6
(3SR,4aRS,6RS,8aRS)-6-(1H-Tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid

: 128073-45-0,136845-59-5,137566-35-9,143343-70-8,143343-71-9,143343-73-1,143343-76-4,143343-77-5,147331-89-3,147331-90-6
(3SR,4aRS,6SR,8aRS)-6-(1H-Tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In water; for 2h; under 3102.9 Torr; Title compound not separated from byproducts; Ambient temperature;
DOI:10.1021/jo00104a051

Reference yield:

: (3S,4aR,8aR)-6-[1-(1H-Tetrazol-5-yl)-meth-(E)-ylidene]-decahydro-isoquinoline-3-carboxylic acid

: 128073-45-0,136845-59-5,137566-35-9,143343-70-8,143343-71-9,143343-73-1,143343-76-4,143343-77-5,147331-89-3,147331-90-6
(3SR,4aRS,6RS,8aRS)-6-(1H-Tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid

: 128073-45-0,136845-59-5,137566-35-9,143343-70-8,143343-71-9,143343-73-1,143343-76-4,143343-77-5,147331-89-3,147331-90-6
(3SR,4aRS,6SR,8aRS)-6-(1H-Tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In water; for 2h; under 3102.9 Torr; Title compound not separated from byproducts; Ambient temperature;
DOI:10.1021/jo00104a051

Reference yield:

: 128073-43-8,143267-58-7,143267-59-8,143267-74-7,143267-75-8,143267-80-5,143267-81-6
ethyl (3SR,4aRS,8aRS)-6-(cyanomethylidene)-2-(methoxycarbonyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate

: 128073-45-0,136845-59-5,137566-35-9,143343-70-8,143343-71-9,143343-73-1,143343-76-4,143343-77-5,147331-89-3,147331-90-6
(3SR,4aRS,6RS,8aRS)-6-(1H-Tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 63 percent / azido-tri-n-butylstannane / 72 h / 80 °C

2: 55 percent / 6 N aq. HCl / Heating

3: H₂ / 5percent Pd/C / H₂O / 2 h / 3102.9 Torr / Ambient temperature

With hydrogenchloride; hydrogen; azido tributyltin (IV); palladium on activated charcoal; In water;
DOI:10.1021/jo00104a051