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(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

- Octahydro-1H-indole-2-carboxylic acid
- (2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid
- (2R,3aR,7aR)-rel-Octahydro-indole-2-carboxylic acid
- AMY31591
- SY021277
- DS-0910
- H-Oic-OH;(2S,3aS,7aS)-1-Octahydro-1H-indole-2-carboxylic acid
- FT-0647480
- 1H-Indole-2-carboxylic acid, octahydro-, (2R,3aR,7aR)-rel-
- Octahydro-1H-indole-2-carboxylic acid HCl
- SB45365
- SB45003
- 82717-40-6
- AKOS000121044
- SB45705
- MFCD09842285
- CQYBNXGHMBNGCG-UHFFFAOYSA-N
- CCG-353297
- SB45074
- CS-0035056
- FT-0602575
- EN300-54024
- A839984
- AB42766
- CS-WAA0106
- 4-Acetlimidazole
- FS-3070
- 108507-42-2
- SY116352
- (2R,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
- L-Octahydroindole-2-carboxylicacid
- A864362
- A856010
- Z104507234
- MFCD00171406
- FT-0641788
- 80828-13-3
- AKOS016042479
- Octahydro-indole-2-carboxylic acid
- A9970
- 1H-Indole-2-carboxylicacid,octahydro-(9CI)
- AC-1242
- SCHEMBL44497
- 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic Acid
- rel-(2S, 3aR,7aR)-Octahydro-indole-2-carboxylic acid
- L-Octahydroindole-2-carboxylic acid
- 1H-Indole-2-carboxylic acid, octahydro-, (2a,3aa,7ab)-
- 1-Piperazinecarboxylicacid, 3-oxo-, 1,1-dimethylethyl ester
- SB33687
- Octahydroindole-2-Carboxylic Acid
- perhydroindole-2-carboxylic acid
- SB47770
- SB38898
- 2-perhydroindolecarboxylic acid
- 1H-Indole-2-carboxylic acid, octahydro-, (2α,3aβ,7aβ)- (9CI)
- 1H-Indole-2-carboxylic acid, octahydro-, (2α,3aβ,7aβ)-(±)- (ZCI)
- rel-(2R,3aR,7aR)-Octahydro-1H-indole-2-carboxylic acid (ACI)
- DB-017948
- STL301689
- DB-056464
- Octahydro-1H-indole-2-carboxylicacid
- MDL： MFCD07852084
- Inchi： 1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m1/s1
- InChI Key： CQYBNXGHMBNGCG-BWZBUEFSSA-N
- SMILES： C([C@@H]1N[C@@H]2CCCC[C@@H]2C1)(=O)O

Computed Properties

Exact Mass: 169.110278721g/mol
Monoisotopic Mass: 169.110278721g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 193
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 3
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: -1
Topological Polar Surface Area: 49.3?2

Experimental Properties

Color/Form: NA
Density: 1.1±0.1 g/cm3
Melting Point: 268-270 °C
Boiling Point: 318.6±25.0 °C at 760 mmHg

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Security Information

Signal Word：warning
Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Warning Statement： P264+P280+P305+P351+P338+P337+P313
Safety Instruction： H303+H313+H333
Storage Condition：Storage at -4 ℃ (6-12weeks), long storage period at -20 ℃ (1-2years), transport at 0 ℃

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Chemenu	CM148793-5g	(2R,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid	80828-13-3	97%	5g	$204	2021-08-05
Chemenu	CM148793-10g	(2R,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid	80828-13-3	97%	10g	$309	2021-08-05
Matrix Scientific	074409-1g	Octahydro-1H-indole-2-carboxylic acid, 95+%	80828-13-3	95+%	1g	$49.00	2023-09-09
Matrix Scientific	074409-5g	Octahydro-1H-indole-2-carboxylic acid, 95+%	80828-13-3	95+%	5g	$150.00	2023-09-09
Matrix Scientific	074409-10g	Octahydro-1H-indole-2-carboxylic acid, 95+%	80828-13-3	95+%	10g	$255.00	2023-09-09
abcr	AB418317-1 g	(2R,3aR,7aR)-rel-Octahydro-1H-indole-2-carboxylic acid; .	80828-13-3		1 g	€76.00	2023-07-19
abcr	AB418317-5 g	(2R,3aR,7aR)-rel-Octahydro-1H-indole-2-carboxylic acid; .	80828-13-3		5 g	€152.50	2023-07-19
abcr	AB418317-10 g	(2R,3aR,7aR)-rel-Octahydro-1H-indole-2-carboxylic acid; .	80828-13-3		10 g	€246.00	2023-07-19
Chemenu	CM148793-25g	(2R,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid	80828-13-3	97%	25g	$865	2024-07-23
TRC	O236000-250mg	(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid	80828-13-3		250mg	$ 81.00	2023-09-06

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Production Method

Production Method 1

87624-03-1

80828-13-3

87679-20-7

Reaction Conditions

1.1 Reagents: Barium hydroxide Solvents: Water ; 2 h, reflux
1.2 Reagents: Sulfuric acid Solvents: Water

Reference

Barium hydroxide

Abdel-Magid, Ahmed F., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2007, 1, 1-6

Production Method 2

87624-03-1

80828-13-3

87679-20-7

Reaction Conditions

1.1 Catalysts: Barium hydroxide Solvents: Water ; 2 h, reflux
1.2 Catalysts: Sulfuric acid

Reference

Barium Hydroxide

Abdel-Magid, Ahmed F.; Koskinen, Ari M. P., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, ,

Production Method 3

78348-24-0

80828-13-3

Reaction Conditions

1.1 Reagents: Hydrogen Catalysts: Platinum dioxide Solvents: Acetic acid ; 60 °C

Reference

Efficient access to enantiomerically pure cyclic α-amino esters through a lipase-catalyzed kinetic resolution

Alatorre-Santamaria, Sergio; Rodriguez-Mata, Maria; Gotor-Fernandez, Vicente; de Mattos, Marcos Carlos; Sayago, Francisco J.; et al, Tetrahedron: Asymmetry, 2008, 19(14), 1714-1719

Production Method 4

78348-24-0

80828-13-3

Reaction Conditions

1.1 Reagents: Acetic acid , Hydrogen Catalysts: Platinum dioxide ; 24 h, 60 °C

Reference

Efficient access to N-protected derivatives of (R,R,R)- and (S,S,S)-octahydroindole-2-carboxylic acid by HPLC resolution

Sayago, Francisco J.; Jimenez, Ana I.; Cativiela, Carlos, Tetrahedron: Asymmetry, 2007, 18(19), 2358-2364

Production Method 5

79815-20-6

80828-13-3

Reaction Conditions

Reference

Industrial preparation of (2S,3aS,7aS)-perhydroindole-2-carboxylic acid as intermediate for antihypertensive perindopril

, European Patent Organization, , ,

Production Method 6

80828-31-5

80828-13-3

Reaction Conditions

1.1 Reagents: Hydrochloric acid

Reference

Preparation and testing of heterocyclic amino acid-containing peptides as angiotensin converting enzyme inhibitors

, Federal Republic of Germany, , ,

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Raw materials

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Preparation Products

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:80828-13-3)(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid

Order Number:A856010

Stock Status:in Stock

Quantity:25g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 07:58

Price ($):649.0

Email:[email protected]

Product Official Link

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Related Literature

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2. An insight into the role of side chains in the microstructure and carrier mobility of high-performance conjugated polymers?

Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Related Categories

Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Amino acids and derivatives

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Cas no 80828-13-3 ((2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid)

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Security Information

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Pricemore >>

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Production Method

Production Method 1

Production Method 2

Production Method 3

Production Method 4

Production Method 5

Production Method 6

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Raw materials

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Preparation Products

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Suppliers

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid Related Literature

Related Categories

80828-13-3 ((2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid) Related Products