(2S,4R)-1-Benzyl 2-methyl 4-((methylsulfonyl)oxy)pyrrolidine-1,2-dicarboxylate - ≥98% , CAS No.117811-78-6

CAS: 117811-78-6 Cat. No.: S1349985 Peso molecular: 357.39 PubChem CID: 11725861
Disponible para pedir
GRADE & PURITY ≥98%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
S1349985-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
169,90US$
1g
S1349985-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
407,90US$
5g
S1349985-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.200,90US$
10g
S1349985-10g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.916,90US$
25g
S1349985-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
3.585,90US$
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasCOC(=O)C1CC(CN1C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C
IUPAC Name1-O-benzyl 2-O-methyl (2S,4R)-4-methylsulfonyloxypyrrolidine-1,2-dicarboxylate
InChIKeyAKWWVKKYRCEOCX-OLZOCXBDSA-N
INCHI1S/C15H19NO7S/c1-21-14(17)13-8-12(23-24(2,19)20)9-16(13)15(18)22-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m1/s1
Isómeros SMILES COC(=O)[C@@H]1C[C@H](CN1C(=O)OCC2=CC=CC=C2)OS(=O)(=O)C
PubChem CID 11725861
Peso molecular 357.39

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

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClaseCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentAlpha amino acid esters
Alternative Parents Proline and derivatives  Benzyloxycarbonyls  Pyrrolidine carboxylic acids  Sulfonic acid esters  Organosulfonic acid esters  Sulfonyls  Methyl esters  Methanesulfonates  Carbamate esters  Monocarboxylic acids and derivatives  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alpha-amino acid ester - Proline or derivatives - Benzyloxycarbonyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Sulfonic acid ester - Benzenoid - Organosulfonic acid ester - Methanesulfonate - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Methyl ester - Sulfonyl - Carbamic acid ester - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular357.400 g/mol
XLogP31.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass357.088 Da
Monoisotopic Mass357.088 Da
Topological Polar Surface Area108.000 Ų
Heavy Atom Count24
Formal Charge0
Complexity551.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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