N-Carbobenzoxy-DL-phenylalanine - ≥98% , CAS No.3588-57-6

CAS: 3588-57-6 Cat. No.: N159603 Molecular Weight: 299.33 EC Number: 222-726-9
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
DTXSID001283588 | 2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoic acid | AKOS037748797 | SR-01000488822 | Butanamide, 2-((((4S)-3-(4-chlorophenyl)-4,5-dihydro-4-phenyl-1H-pyrazol-1-yl)(((4-chlorophenyl)sulfonyl)amino)methylene)amino)-3-methyl-, (2S)- | O
Storage
Room temperature
Shipped In
Normal
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5g
N159603-5g
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25g
N159603-25g
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100g
N159603-100g
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Why this grade

≥98% 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
DTXSID001283588 | 2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoic acid | AKOS037748797 | SR-01000488822 | Butanamide, 2-((((4S)-3-(4-chlorophenyl)-4, 5-dihydro-4-phenyl-1H-pyrazol-1-yl)(((4-chlorophenyl)sulfonyl)amino)methylene)amino)-3-methyl-, (2S)- | O
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488187201
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488187201
Canonical SmilesC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2
IUPAC Name3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
InChIKeyRRONHWAVOYADJL-UHFFFAOYSA-N
INCHI1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)
Isomeric SMILES C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2
Molecular Weight 299.33
Reaxy-Rn 551899
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=551899&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentPhenylalanine and derivatives
Alternative Parents Phenylpropanoic acids  Benzyloxycarbonyls  Amphetamines and derivatives  Carbamate esters  Organic carbonic acids and derivatives  Monocarboxylic acids and derivatives  Carboxylic acids  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
npr Thermolysin (425 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ehrlich (1318 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
D1802075Certificate of AnalysisNov 10, 2025 N159603
D23231300Certificate of AnalysisFeb 16, 2022 N159603
Chemical and Physical Properties
Melt Point(°C)104 °C
Molecular Weight299.320 g/mol
XLogP32.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass299.116 Da
Monoisotopic Mass299.116 Da
Topological Polar Surface Area75.600 Ų
Heavy Atom Count22
Formal Charge0
Complexity360.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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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