1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylate - ≥97% , CAS No.145681-01-2

Name: 1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylate - ≥97% , CAS No.145681-01-2
Brand: Aladdin Scientific
SKU: T587290
Availability: InStock

CAS: 145681-01-2 Cat. No.: T587290 Molecular Weight: 229.28 EC Number: 849-128-6

COA

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1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylate - ≥97% CAS No(145681-01-2) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Synonyms

AM20080347 | FT-0685011 | 1-Boc-L-proline Methyl Ester | AKOS008902048 | Boc-L-Proline-methyl ester | FT-0601713 | NCI60_034719 | Methyl 1-Boc-2-pyrrolidinecarboxylate | BCP22982 | 1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate | A884593 | NSC697

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Canonical Smiles	CC(C)(C)OC(=O)N1CCCC1C(=O)OC
IUPAC Name	1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate
InChIKey	WVDGSSCWFMSRHN-UHFFFAOYSA-N
INCHI	1S/C11H19NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h8H,5-7H2,1-4H3
Isomeric SMILES	CC(C)(C)OC(=O)N1CCCC1C(=O)OC
Molecular Weight	229.28
Reaxy-Rn	4686324
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4686324&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid esters
Alternative Parents	Proline and derivatives Pyrrolidine carboxylic acids Methyl esters Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Alpha-amino acid ester - Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

ACHN (49357 Activities)

Lot Number	Certificate Type	Date	Item
H2324459	Certificate of Analysis	Jun 09, 2026	T587290
H2324460	Certificate of Analysis	Jun 09, 2026	T587290

Molecular Weight	229.270 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	229.131 Da
Monoisotopic Mass	229.131 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	282.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1