Basic Description

Synonyms	108957-20-6 \| N-Boc-3-Iodo-L-alanine benzyl ester \| (R)-Benzyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate \| Boc-beta-iodo-Ala-OBzl \| (R)-benzyl 2-(tert-butoxycarbonylamino)-3-iodopropanoate \| benzyl (2R)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoa
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Alpha amino acid esters

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	Alpha amino acid esters
Alternative Parents	Benzyloxycarbonyls Carbamate esters Organic carbonic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alpha-amino acid ester - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carboxylic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organooxygen compound - Alkyl iodide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alkyl halide - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This 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
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

Pubchem Sid	504761488
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761488
IUPAC Name	benzyl (2R)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
INCHI	InChI=1S/C15H20INO4/c1-15(2,3)21-14(19)17-12(9-16)13(18)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKey	DDXFSYLOWHQCEK-LBPRGKRZSA-N
Smiles	CC(C)(C)OC(=O)NC(CI)C(=O)OCC1=CC=CC=C1
Isomeric SMILES	CC(C)(C)OC(=O)N[C@@H](CI)C(=O)OCC1=CC=CC=C1
WGK Germany	3
Molecular Weight	405.23
Beilstein	4506660
Reaxy-Rn	7859765
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7859765&ln=

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.

5 results found

Lot Number	Certificate Type	Date	Item
A2330865	Certificate of Analysis	Nov 22, 2022	B165868
A2330916	Certificate of Analysis	Nov 22, 2022	B165868
A2330915	Certificate of Analysis	Nov 22, 2022	B165868
A2330919	Certificate of Analysis	Nov 22, 2022	B165868
A2330905	Certificate of Analysis	Nov 22, 2022	B165868

Chemical and Physical Properties

Sensitivity	light sensitive
Specific Rotation[α]	[α]20/D −18.0°, c = 1 in ethanol
Melt Point(°C)	78-80 °C (lit.)
Molecular Weight	405.230 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	405.044 Da
Monoisotopic Mass	405.044 Da
Topological Polar Surface Area	64.599 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	348.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

Documents & Articles

Solid-Phase Peptide Synthesis (SPPS) — Efficient Strategies and Innovative Techniques

Categories: Technical articles

Tags:

Chemical synthesis Amino acids Protein Biology Acids Solvents Carbohydrates Peptides Peptide synthesis reagents Organic blocks SPPS Peptide synthesis Protection groups

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SKU	Size	Availability	Price
B165868-100mg	100mg	2	$36.90
B165868-250mg	250mg	2	$69.90
B165868-500mg	500mg	3	$107.90
B165868-1g	1g	2	$193.90
B165868-5g	5g	2	$869.90

Boc-β-iodo-Ala-OBzl - 97%, high purity , CAS No.108957-20-6