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N-Boc-2,5-dihydro-1H-pyrrole - 97%, high purity , CAS No.73286-70-1

COA

Grade & Purity:

≥97%

Cas Number: 73286-70-1
Molecular Weight: 169.22
MDL number: MFCD01863512
PubChem CID: 5148195
PubChem SID: 488195113

In stock

Item Number

B121972

Grouped product items
SKU	Size	Availability	Price
B121972-1g	1g	3	$18.90
B121972-5g	5g	1	$70.90
B121972-25g	25g	1	$229.90
B121972-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$827.90

View related series

Five-Membered Heterocyclic Compounds (2064) Halogen free heterocyclic block (1207)

Basic Description

Synonyms	AM20100702 \| F0001-1854 \| 1,1-dimethylethyl 2,5-dihydro-1H-pyrrole-1-carboxylate \| 1-t-butoxycarbonyl-3-pyrroline \| FT-0649578 \| 1-tert-Butoxycarbonyl-2,5-dihydropyrrole \| Tert-butyl 2,5-dihydropyrrole-1-carboxylate \| tert-Butyl 3-pyrroline-1-carboxylate
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	Used in a synthesis of ?-aryl-GABA analogues by Heck arylation with arenediazonium salts. Used to synthesize aryl pyrrolizidines.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolines
    - Subclass Pyrroline carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolines
Subclass	Pyrroline carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrroline carboxylic acids
Alternative Parents	Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Pyrroline carboxylic acid - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrroline carboxylic acids. These are heterocyclic compounds containing a pyrroline ring substituted by one or more carboxylic acid groups.
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	488195113
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195113
IUPAC Name	tert-butyl 2,5-dihydropyrrole-1-carboxylate
INCHI	InChI=1S/C9H15NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-5H,6-7H2,1-3H3
InChIKey	YEBDZDMYLQHGGZ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC=CC1
Isomeric SMILES	CC(C)(C)OC(=O)N1CC=CC1
WGK Germany	3
Molecular Weight	169.22
Reaxy-Rn	4388594
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4388594&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.

7 results found

Lot Number	Certificate Type	Date	Item
B2322361	Certificate of Analysis	Jan 29, 2023	B121972
B2322541	Certificate of Analysis	Jan 29, 2023	B121972
B2322362	Certificate of Analysis	Jan 29, 2023	B121972
B2322372	Certificate of Analysis	Jan 29, 2023	B121972
B2322365	Certificate of Analysis	Jan 29, 2023	B121972
C1406080	Certificate of Analysis	Feb 14, 2022	B121972
C1406079	Certificate of Analysis	Feb 14, 2022	B121972

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Air Sensitive,Moisture Sensitive
Refractive Index	1.458
Flash Point(°F)	177.8 °F
Flash Point(°C)	81°C(178°F)
Boil Point(°C)	208°C
Melt Point(°C)	41 °C
Molecular Weight	169.220 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	169.11 Da
Monoisotopic Mass	169.11 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	195.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

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