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cis-1-tert-butoxycarbonyl-3-hydroxy-pyrrolidine-2-carboxylic acid - 97%, high purity , CAS No.186132-80-9

COA

Grade & Purity:

≥97%

Cas Number: 186132-80-9
Molecular Weight: 231.24
EC Number: 846-072-4
MDL number: MFCD08458682
PubChem CID: 14037016

In stock

Item Number

C630861

Grouped product items
SKU	Size	Availability	Price
C630861-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$269.90
C630861-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,183.90
C630861-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,365.90

Basic Description

Synonyms	cis-1-(Tert-butoxycarbonyl)-3-hydroxypyrrolidine-2-carboxylic acid \| (2R,3S)-rel-1-[(tert-butoxy)carbonyl]-3-hydroxypyrrolidine-2-carboxylic acid \| N-Boc-cis-3-Hydroxy-D-proline \| 1,2-Pyrrolidinedicarboxylicacid,3-hydroxy-,1-(1,1-dimethylethyl)ester,(2R,3
Specifications & Purity	≥97%
Shipped In	Normal

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 Proline and derivatives

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	Proline and derivatives
Alternative Parents	Pyrrolidine carboxylic acids Beta hydroxy acids and derivatives Carbamate esters Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Beta-hydroxy acid - Hydroxy acid - Carbamic acid ester - Pyrrolidine - Secondary alcohol - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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

Names and Identifiers

IUPAC Name	(2R,3S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
INCHI	InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-4-6(12)7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m0/s1
InChIKey	JLDHXHPQMBNKMC-NKWVEPMBSA-N
Smiles	CC(C)(C)OC(=O)N1CCC(C1C(=O)O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]1C(=O)O)O
Alternate CAS	186132-80-9
Molecular Weight	231.24
Reaxy-Rn	28176536
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28176536&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.250 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	231.111 Da
Monoisotopic Mass	231.111 Da
Topological Polar Surface Area	87.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	296.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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