benzyl N-[trans-4-fluoropyrrolidin-3-yl]carbamate - ≥97% , CAS No.1638761-20-2

CAS: 1638761-20-2 Cat. No.: B630015 Molecular Weight: 238.26 PubChem CID: 96884550
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
benzyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate | Benzyl N-[trans-4-fluoropyrrolidin-3-yl]carbamate | PS-15403 | DTXSID101140539 | Benzyl ((3R,4R)-4-fluoropyrrolidin-3-yl)carbamate | F70976 | SCHEMBL16727830 | 1638761-20-2 | Carbamic acid, N-[(3R,4R)-
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
100mg
B630015-100mg
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$288.90
250mg
B630015-250mg
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$461.90
500mg
B630015-500mg
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$767.90
1g
B630015-1g
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$1,382.90
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Why this grade

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

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Storage & shipping

Room temperature Ships Normal 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
benzyl N-[(3R, 4R)-4-fluoropyrrolidin-3-yl]carbamate | Benzyl N-[trans-4-fluoropyrrolidin-3-yl]carbamate | PS-15403 | DTXSID101140539 | Benzyl ((3R, 4R)-4-fluoropyrrolidin-3-yl)carbamate | F70976 | SCHEMBL16727830 | 1638761-20-2 | Carbamic acid, N-[(3R, 4R)-
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesC1C(C(CN1)F)NC(=O)OCC2=CC=CC=C2
IUPAC Namebenzyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate
InChIKeyKZWUUEWPRQZDNF-GHMZBOCLSA-N
INCHI1S/C12H15FN2O2/c13-10-6-14-7-11(10)15-12(16)17-8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,15,16)/t10-,11-/m1/s1
Isomeric SMILES C1[C@H]([C@@H](CN1)F)NC(=O)OCC2=CC=CC=C2
Alternate CAS 1638761-20-2
PubChem CID 96884550
Molecular Weight 238.26

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzyloxycarbonyls
Intermediate Tree Nodes Not available
Direct ParentBenzyloxycarbonyls
Alternative Parents Pyrrolidines  Carbamate esters  Organic carbonic acids and derivatives  Dialkylamines  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzyloxycarbonyl - Carbamic acid ester - Pyrrolidine - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight238.260 g/mol
XLogP31.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass238.112 Da
Monoisotopic Mass238.112 Da
Topological Polar Surface Area50.400 Ų
Heavy Atom Count17
Formal Charge0
Complexity257.000
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
Solution Calculators
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