Cas no 1260596-99-3 (4-(Propan-2-yl)pyrrolidine-3-carboxylic acid)
4-(Propan-2-yl)pyrrolidine-3-carboxylic acid is a chiral pyrrolidine derivative featuring a carboxylic acid functional group and an isopropyl substituent. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and bioactive molecules. Its rigid pyrrolidine scaffold and stereocenter make it valuable for constructing constrained peptidomimetics or ligands in asymmetric catalysis. The carboxylic acid group allows for further derivatization, while the isopropyl moiety may enhance lipophilicity or steric influence. The compound's structural features are advantageous for medicinal chemistry applications, where fine-tuning of molecular properties is required. Proper handling under inert conditions is recommended due to potential sensitivity.
1260596-99-3 structure
Product Name:4-(Propan-2-yl)pyrrolidine-3-carboxylic acid
CAS No:1260596-99-3
MF:C8H15NO2
MW:157.210202455521
CID:4565431
PubChem ID:9793887
Update Time:2025-10-28
4-(Propan-2-yl)pyrrolidine-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-propan-2-ylpyrrolidine-3-carboxylic acid
- 4-(Propan-2-yl)pyrrolidine-3-carboxylic acid
- 4-propan-2-ylpyrrolidin-1-ium-3-carboxylate
- (3S,4S)-4-Isopropylpyrrolidine-3-carboxylicacid
- CS-15582
- 1260596-99-3
- (3R,4R)-4-(propan-2-yl)pyrrolidine-3-carboxylic acid
- MFCD15142765
- F15044
- (3R,4R)-4-ISOPROPYLPYRROLIDINE-3-CARBOXYLICACID
- (+/-)-trans-4-Isopropyl-pyrrolidine-3-carboxylicacid
- SCHEMBL1815567
- 261896-36-0
- (3R,4R)-4-propan-2-ylpyrrolidine-3-carboxylic acid
- CS-0035057
- AKOS026670369
- (3R,4R)-4-isopropylpyrrolidine-3-carboxylic acid (trans)
- 3-Pyrrolidinecarboxylic acid, 4-(1-methylethyl)-, (3R,4R)-rel-
- (3R,4R)-4-ISOPROPYLPYRROLIDINE-3-CARBOXYLIC ACID
- (+/-)-trans-4-Isopropyl-pyrrolidine-3-carboxylic acid
- CS-WAA0183
- DB-257682
- (3R,4R)-rel-4-Isopropylpyrrolidine-3-carboxylic acid
-
- Inchi： 1S/C8H15NO2/c1-5(2)6-3-9-4-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)
- InChI Key： NQULSPPHDFWDLL-UHFFFAOYSA-N
- SMILES： OC(C1CNCC1C(C)C)=O
Computed Properties
- Exact Mass: 157.110278721 g/mol
- Monoisotopic Mass: 157.110278721 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 157.21
- XLogP3: -1.6
- Topological Polar Surface Area: 49.3
Experimental Properties
- Density: 1.1±0.1 g/cm3
- Boiling Point: 270.8±33.0 °C at 760 mmHg
- Flash Point: 117.6±25.4 °C
- Vapor Pressure: 0.0±1.2 mmHg at 25°C
4-(Propan-2-yl)pyrrolidine-3-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℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-(Propan-2-yl)pyrrolidine-3-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM461192-100mg |
(3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid |
1260596-99-3 | 95%+ | 100mg |
$115 | 2023-01-02 | |
| Chemenu | CM461192-250mg |
(3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid |
1260596-99-3 | 95%+ | 250mg |
$192 | 2023-01-02 | |
| Chemenu | CM461192-1g |
(3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid |
1260596-99-3 | 95%+ | 1g |
$385 | 2023-01-02 | |
| 1PlusChem | 1P01DXSH-100mg |
(3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid |
1260596-99-3 | ≥97.0% | 100mg |
$170.00 | 2023-12-25 | |
| A2B Chem LLC | AX29137-100mg |
(3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid |
1260596-99-3 | 95% | 100mg |
$66.00 | 2024-04-20 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1105697-100mg |
(3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid |
1260596-99-3 | 95% | 100mg |
￥1004.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1105697-250mg |
(3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid |
1260596-99-3 | 95% | 250mg |
￥1674.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1105697-1g |
(3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid |
1260596-99-3 | 95% | 1g |
￥3604.00 | 2024-08-09 |
4-(Propan-2-yl)pyrrolidine-3-carboxylic acid Related Literature
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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