3-Amino-5-tert-butylisoxazole - ≥97% , CAS No.55809-36-4

CAS: 55809-36-4 Cat. No.: A124704 Molecular Weight: 140.19 Beilstein Registry Number: 1100990 EC Number: 629-257-2
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
5-t-butyl-isoxazol-3-ylamine | BBL104253 | EN300-67494 | W-200435 | 5-tert-Butyl-3-aminoisoxazole | STL558356 | 3-Amino-5-tert-butylisoxazole, 97% | Q407654 | 5-(t-butyl)isoxazol-3-amine | PB27408 | 3-amino-5-tertbutylisoxazole | 3-Amino-5-tert-butylisoxa
Storage
Room temperature
Shipped In
Normal
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Size
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Price
Qty
1g
A124704-1g
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$19.90
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5g
A124704-5g
5

$17.90

$26.90
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25g
A124704-25g
4

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100g
A124704-100g
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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.

Overview

Amination of aryl bromides catalyzed by Pd(dba)3 and Xantphos.

Specifications

Synonyms
5-t-butyl-isoxazol-3-ylamine | BBL104253 | EN300-67494 | W-200435 | 5-tert-Butyl-3-aminoisoxazole | STL558356 | 3-Amino-5-tert-butylisoxazole, 97% | Q407654 | 5-(t-butyl)isoxazol-3-amine | PB27408 | 3-amino-5-tertbutylisoxazole | 3-Amino-5-tert-butylisoxa
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488188468
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488188468
Canonical SmilesCC(C)(C)C1=CC(=NO1)N
IUPAC Name5-tert-butyl-1,2-oxazol-3-amine
InChIKeyGGXGVZJHUKEJHO-UHFFFAOYSA-N
INCHI1S/C7H12N2O/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3,(H2,8,9)
Isomeric SMILES CC(C)(C)C1=CC(=NO1)N
WGK Germany 3
Molecular Weight 140.19
Beilstein 1100990
Reaxy-Rn 1100990
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100990&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
SuperclassOrganoheterocyclic compounds
ClassImidolactams
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentImidolactams
Alternative Parents Isoxazoles  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Imidolactam - Heteroaromatic compound - Isoxazole - Azole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom.
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:

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

4 results found

Lot NumberCertificate TypeDateItem
I2506065Certificate of AnalysisSep 16, 2025 A124704
L1614044Certificate of AnalysisJul 10, 2024 A124704
C2302768Certificate of AnalysisMar 09, 2023 A124704
C2302769Certificate of AnalysisMar 09, 2023 A124704
Chemical and Physical Properties
SolubilitySoluble in Methanol
Melt Point(°C)110-113°C
Molecular Weight140.180 g/mol
XLogP31.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass140.095 Da
Monoisotopic Mass140.095 Da
Topological Polar Surface Area52.100 Ų
Heavy Atom Count10
Formal Charge0
Complexity119.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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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