Boc-D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid

Base Information

• Chemical Name: Boc-D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
• CAS No.: 123910-26-9
• Molecular Formula: C₁₇H₂₀N₂O₄
• Molecular Weight: 316.357
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID40924635
• Wikidata: Q72450781
• Mol file: 123910-26-9.mol

Synonyms:123910-26-9;Boc-D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid;DTXSID40924635;AKOS032947984;2-(tert-Butoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-, 2-(1,1-dimethylethyl) ester, (3R)-

Chemical Property of Boc-D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid

Chemical Property:

• Appearance/Colour: white to slightly yellow powder
• Vapor Pressure: 7.12E-12mmHg at 25°C
• Boiling Point: 525.569 °C at 760 mmHg
• PKA: 3.98±0.20(Predicted)
• Flash Point: 271.654 °C
• PSA: 82.63000
• Density: 1.323 cm³
• LogP: 2.85220
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 315.13448209
• Heavy Atom Count: 23
• Complexity: 482

Purity/Quality:

98%,99%, ^*data from raw suppliers

Boc-D-1,2,3,4-tetrahydronorharman-3-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25-S24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)[O-])C3=CC=CC=C3N2
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC2=C(C[C@@H]1C(=O)[O-])C3=CC=CC=C3N2

Technology Process of Boc-D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid

There total 1 articles about Boc-D-1,2,3,4-Tetrahydronorharman-3-carboxylic 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:

di-tert-butyl dicarbonate (24424-99-5) + (3R)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylic acid (72002-54-1) → (R)-2-(tert-butoxycarbonyl)-2,3 ,4,9-tetrahydro-1 H-pyrido [3,4-b] indole-3-carboxylic acid (123910-26-9)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; water; acetonitrile;

Reference yield:

{[3,5-bis(trifluoromethyl)phenyl]methyl}methylamine (159820-24-3) + (R)-2-(tert-butoxycarbonyl)-2,3 ,4,9-tetrahydro-1 H-pyrido [3,4-b] indole-3-carboxylic acid (123910-26-9) → C27H27F6N3O3 (1286708-09-5)

Guidance literature:

(R)-2-(tert-butoxycarbonyl)-2,3 ,4,9-tetrahydro-1 H-pyrido [3,4-b] indole-3-carboxylic acid; With O-(benzotriazol-1-yl )-N,N,N' ,N'-tetramethyluronium tetrafluoroborate; triethylamine; In dichloromethane; at 20 ℃;

{[3,5-bis(trifluoromethyl)phenyl]methyl}methylamine; In dichloromethane; at 20 ℃; pH=8;

DOI:10.1021/jm1016285

Reference yield:

methanol (67-56-1) + (R)-2-(tert-butoxycarbonyl)-2,3 ,4,9-tetrahydro-1 H-pyrido [3,4-b] indole-3-carboxylic acid (123910-26-9) → (R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester (81075-61-8)

Guidance literature:

With chloro-trimethyl-silane; for 2h; Heating / reflux;

upstream raw materials:

di-tert-butyl dicarbonate

(3R)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylic acid

Downstream raw materials:

(R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester

C₂₇H₂₇F₆N₃O₃

C₂₄H₂₁F₆N₃O₂

Refernces