Methyl (1R,3S)-7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

Base Information

Chemical Name:Methyl (1R,3S)-7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
CAS No.:107447-06-3
Molecular Formula:C18H24N2O3
Molecular Weight:316.39
Hs Code.:
DSSTox Substance ID:DTXSID70558442
Wikidata:Q82440748
Mol file:107447-06-3.mol

Synonyms:Methyl (1R,3S)-7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate;methyl (1R,3S)-7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;DTXSID70558442

Suppliers and Price of Methyl (1R,3S)-7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

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

ChemScene
(3S)-methyl1-isobutyl-7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
500mg
$ 1760.00

Chemenu
(3S)-methyl1-isobutyl-7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate 95%+
250mg
$ 596.00

Chemenu
(3S)-methyl1-isobutyl-7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate 95%+
100mg
$ 292.00

Total 8 raw suppliers

Chemical Property of Methyl (1R,3S)-7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

Chemical Property:

Melting Point:151-153.5 °C
Boiling Point:472.7±45.0 °C(Predicted)
PKA:17.46±0.60(Predicted)
PSA：63.35000
Density:1.140±0.06 g/cm3(Predicted)
LogP:3.27980
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:316.17869263
Heavy Atom Count:23
Complexity:429

Purity/Quality:

NLT 98% ^*data from raw suppliers

(3S)-methyl1-isobutyl-7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC1C2=C(CC(N1)C(=O)OC)C3=C(N2)C=C(C=C3)OC
Isomeric SMILES:CC(C)C[C@@H]1C2=C(C[C@H](N1)C(=O)OC)C3=C(N2)C=C(C=C3)OC

Technology Process of Methyl (1R,3S)-7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

There total 4 articles about Methyl (1R,3S)-7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate 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: 30.0%

: 107447-04-1
(S)-methyl 2-amino-3-(6-methoxy-1H-indol-3-yl)propanoate

: 590-86-3
isovaleraldehyde

: 107447-05-2
(1S,3S)-methyl-1-isobutyl-7-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate

: 107447-06-3
trans-1-isobutyl-7-methoxy-3-methoxycarbonyl-1,2,3,4-tetrahydro-β-carboline

Guidance literature:: With trifluoroacetic acid; In dichloromethane; for 1.16667h; Ambient temperature;

Reference yield:

: 123287-67-2
N_b-methoxycarbonyl-6-methoxy-L-tryptophan methyl ester

: 107447-06-3
trans-1-isobutyl-7-methoxy-3-methoxycarbonyl-1,2,3,4-tetrahydro-β-carboline

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / trimethylsilyl iodide / CHCl₃ / 1.5 h / Heating

2: 30 percent / CF₃COOH / CH₂Cl₂ / 1.17 h / Ambient temperature

With trimethylsilyl iodide; trifluoroacetic acid; In dichloromethane; chloroform;

Reference yield:

: 67811-39-6,79465-83-1,79465-84-2,79465-85-3,79465-86-4
(2S,3aR)-8-Acetyl-3,3a,8,8a-tetrahydro-2H-pyrrolo[2,3-b]indole-1,2-dicarboxylic acid dimethyl ester

: 107447-06-3
trans-1-isobutyl-7-methoxy-3-methoxycarbonyl-1,2,3,4-tetrahydro-β-carboline

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) lead tetraacetate; 2.) K₂CO₃ / 1.) CF₃COOH, 4 h, -1 to 5 deg C; 2.) acetone, 56 h, r.t.

2: 94 percent / 10percent H₂SO₄ / methanol / 2.5 h / Ambient temperature

3: 99 percent / trimethylsilyl iodide / CHCl₃ / 1.5 h / Heating

4: 30 percent / CF₃COOH / CH₂Cl₂ / 1.17 h / Ambient temperature

With lead(IV) acetate; trimethylsilyl iodide; sulfuric acid; potassium carbonate; trifluoroacetic acid; In methanol; dichloromethane; chloroform;