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tert-butyl trans-3-hydroxy-4-methylpyrrolidine-1-carboxylate - 97%, high purity , CAS No.885102-33-0

COA

Grade & Purity:

≥97%

Cas Number: 885102-33-0
Molecular Weight: 201.27
MDL number: MFCD18375158
PubChem CID: 53302312

In stock

Item Number

T634902

Grouped product items
SKU	Size	Availability	Price
T634902-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$234.90
T634902-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$715.90
T634902-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,114.90

Basic Description

Synonyms	885102-33-0 \| trans-1-boc-4-methylpyrrolidin-3-ol \| tert-butyl (3S,4R)-3-hydroxy-4-methylpyrrolidine-1-carboxylate \| 1432132-80-3 \| tert-butyl trans-3-hydroxy-4-methylpyrrolidine-1-carboxylate \| trans 1-Boc-3-hydroxy-4-methylpyrrolidine \| SCHEMBL951954 \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Pyrrolidine carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolidine carboxylic acids
Alternative Parents	Carbamate esters Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrrolidine carboxylic acid - Carbamic acid ester - Secondary alcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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	tert-butyl (3S,4R)-3-hydroxy-4-methylpyrrolidine-1-carboxylate
INCHI	InChI=1S/C10H19NO3/c1-7-5-11(6-8(7)12)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKey	YMSRLPJZNWGMAM-HTQZYQBOSA-N
Smiles	CC1CN(CC1O)C(=O)OC(C)(C)C
Isomeric SMILES	C[C@@H]1CN(C[C@H]1O)C(=O)OC(C)(C)C
PubChem CID	53302312
Molecular Weight	201.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	201.260 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	201.136 Da
Monoisotopic Mass	201.136 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	222.000
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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