(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid

Base Information

Chemical Name:(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid
CAS No.:80875-98-5
Molecular Formula:C9H15NO2
Molecular Weight:169.224
Hs Code.:29339900
European Community (EC) Number:617-180-7
UNII:9ID44U804I
DSSTox Substance ID:DTXSID00230764
Nikkaji Number:J176.761E
Mol file:80875-98-5.mol

Synonyms:octahydroindole-2-carboxylic acid

Suppliers and Price of (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid

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

Abosyn
(3aS,7aS)-Octahydro-1H-indole-2-carboxylicacid 95-98%
5g
$ 980.00

ACHEMBLOCK
(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic Acid 97%
5G
$ 205.00

Acrotein
(S)-Octahydroindole-2-carboxylicacid 97%
25g
$ 178.75

AK Scientific
L-Octahydroindole-2-carboxylicacid
10g
$ 45.00

Alfa Aesar
(2S,3aS,7aS)-Octahydroindole-2-carboxylic acid, 98%
1g
$ 64.90

Alfa Aesar
(2S,3aS,7aS)-Octahydroindole-2-carboxylic acid, 98%
5g
$ 188.00

Ambeed
H-Oic-OH 98%
25g
$ 82.00

Ambeed
H-Oic-OH 98%
100g
$ 306.00

Ambeed
H-Oic-OH 98%
1g
$ 6.00

Ambeed
H-Oic-OH 98%
5g
$ 18.00

Total 174 raw suppliers

Chemical Property of (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid

Chemical Property:

Appearance/Colour:White solid
Vapor Pressure:7.54E-05mmHg at 25°C
Melting Point:275-277 °C
Refractive Index:1.507
Boiling Point:318.6 °C at 760 mmHg
PKA:2.47±0.20(Predicted)
Flash Point:146.5 °C
PSA：49.33000
Density:1.135 g/cm³
LogP:1.32050
Storage Temp.:Store at 0°C
Solubility.:Methanol (Sparingly), Water (Slightly)
Water Solubility.:Soluble in methanol and water.
XLogP3:-1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:169.110278721
Heavy Atom Count:12
Complexity:193

Purity/Quality:

99%, ^*data from raw suppliers

(3aS,7aS)-Octahydro-1H-indole-2-carboxylicacid 95-98% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi
Hazard Codes:Xn,Xi
Statements: 36/37/38
Safety Statements: 26-37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2C(C1)CC(N2)C(=O)O
Isomeric SMILES:C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O
Uses An intermediate in the synthesis of Perindopril. Perindopril USP Related Compound A. An intermediate in the synthesis of Perindopril

Technology Process of (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid

There total 42 articles about (2S,3aS,7aS)-octahydro-1H-indole-2-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: 87.8%