Cas no 113131-45-6 (tert-butyl pyrrolidine-2-carboxylate)

Tert-butyl pyrrolidine-2-carboxylate is a versatile chiral building block widely used in organic synthesis and pharmaceutical applications. This compound features a pyrrolidine ring with a carboxylate ester group at the 2-position, protected by a tert-butyl moiety, enhancing its stability and handling properties. Its rigid pyrrolidine scaffold and functional group compatibility make it valuable for constructing complex molecules, particularly in asymmetric synthesis and peptidomimetics. The tert-butyl ester group offers selective deprotection opportunities, enabling further derivatization. This reagent is favored for its high purity, consistent performance, and utility in medicinal chemistry for developing bioactive compounds. Its structural features contribute to efficient stereocontrol in synthetic pathways.

tert-butyl pyrrolidine-2-carboxylate structure

113131-45-6 structure

Product Name:tert-butyl pyrrolidine-2-carboxylate

CAS No:113131-45-6

MF:C₉H₁₇NO₂

MW:171.23678278923

CID:1099420

PubChem ID:102884

Update Time:2025-10-07

tert-butyl pyrrolidine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

- Proline 1,1-dimethylethyl ester
- tert-butyl pyrrolidine-2-carboxylate
- tert-butyl prolinate
- CS-0441253
- pyrrolidine-2-carboxylic acid tert-butyl ester
- DS-13953
- XJJBXZIKXFOMLP-UHFFFAOYSA-N
- EN300-147771
- tert-butylpyrrolidine-2-carboxylate
- Proline1,1-diMethylethylester
- MFCD00037879
- 2-pyrrolidinecarboxylic acid tert-butyl ester
- AKOS010135091
- L-Proline tert-butyl ester
- DTXSID40950858
- EINECS 220-558-0
- MFCD00083683
- C77766
- SY021465
- A819336
- SCHEMBL248746
- AC-19232
- SY239795
- 2812-46-6
- 113131-45-6
- MDL： MFCD12766679
- Inchi： 1S/C9H17NO2/c1-9(2,3)12-8(11)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3
- InChI Key： XJJBXZIKXFOMLP-UHFFFAOYSA-N
- SMILES： O(C(C1CCCN1)=O)C(C)(C)C

Computed Properties

Exact Mass: 171.125928785g/mol
Monoisotopic Mass: 171.125928785g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 12
Rotatable Bond Count: 3
Complexity: 172
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.1
Topological Polar Surface Area: 38.3?2

tert-butyl pyrrolidine-2-carboxylate 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)

tert-butyl pyrrolidine-2-carboxylate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Apollo Scientific	OR452108-250mg	tert-Butyl pyrrolidine-2-carboxylate	113131-45-6	97%	250mg	￡195.00	2025-02-20
Apollo Scientific	OR452108-500mg	tert-Butyl pyrrolidine-2-carboxylate	113131-45-6	97%	500mg	￡301.00	2025-02-20
Apollo Scientific	OR452108-1g	tert-Butyl pyrrolidine-2-carboxylate	113131-45-6	97%	1g	￡450.00	2025-02-20
Enamine	EN300-147771-50mg	tert-butyl pyrrolidine-2-carboxylate	113131-45-6		50mg	$300.0	2023-09-28
Enamine	EN300-147771-100mg	tert-butyl pyrrolidine-2-carboxylate	113131-45-6		100mg	$314.0	2023-09-28
Enamine	EN300-147771-250mg	tert-butyl pyrrolidine-2-carboxylate	113131-45-6		250mg	$329.0	2023-09-28
Enamine	EN300-147771-500mg	tert-butyl pyrrolidine-2-carboxylate	113131-45-6		500mg	$342.0	2023-09-28
Enamine	EN300-147771-1000mg	tert-butyl pyrrolidine-2-carboxylate	113131-45-6		1000mg	$357.0	2023-09-28
Enamine	EN300-147771-2500mg	tert-butyl pyrrolidine-2-carboxylate	113131-45-6		2500mg	$639.0	2023-09-28
Enamine	EN300-147771-5000mg	tert-butyl pyrrolidine-2-carboxylate	113131-45-6		5000mg	$1109.0	2023-09-28

tert-butyl pyrrolidine-2-carboxylate Suppliers

Amadis Chemical Company Limited

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(CAS:113131-45-6)tert-butyl pyrrolidine-2-carboxylate

Order Number:A1250517

Stock Status:in Stock

Quantity:1g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 22:43

Price ($):479

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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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