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cis-2,6-dimethyl-4-({4-[(E)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl}methyl)morpholine - 97%, high purity , CAS No.1247001-44-0

COA

Grade & Purity:

≥97%

Cas Number: 1247001-44-0
Molecular Weight: 357.3
MDL number: MFCD29037431
PubChem CID: 58486364

In stock

Item Number

C627717

Grouped product items
SKU	Size	Availability	Price
C627717-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
C627717-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$120.90
C627717-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$195.90
C627717-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$971.90

Basic Description

Synonyms	1247001-44-0 \| cis-2,6-dimethyl-4-({4-[(E)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl}methyl)morpholine \| (2R,6S)-rel-2,6-Dimethyl-4-(4-((E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)vinyl)benzyl)morpholine \| ((E)-4-((cis-2,6-Dimethylmorph
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylmethylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Styrenes Benzylamines Aralkylamines Morpholines Dioxaborolanes Boronic acid esters Trialkylamines Oxacyclic compounds Organic metalloid salts Dialkyl ethers Azacyclic compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzylamine - Phenylmethylamine - Styrene - Aralkylamine - Morpholine - Oxazinane - Boronic acid ester - 1,3,2-dioxaborolane - Tertiary aliphatic amine - Tertiary amine - Boronic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Organic metalloid salt - Dialkyl ether - Ether - Hydrocarbon derivative - Amine - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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

IUPAC Name	(2S,6R)-2,6-dimethyl-4-[[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methyl]morpholine
INCHI	InChI=1S/C21H32BNO3/c1-16-13-23(14-17(2)24-16)15-19-9-7-18(8-10-19)11-12-22-25-20(3,4)21(5,6)26-22/h7-12,16-17H,13-15H2,1-6H3/b12-11+/t16-,17+
InChIKey	DDBGHPZIERQRNE-PPVVZDBHSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C=CC2=CC=C(C=C2)CN3CC(OC(C3)C)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=C(C=C2)CN3C[C@H](O[C@H](C3)C)C
PubChem CID	58486364
Molecular Weight	357.3

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	357.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	357.248 Da
Monoisotopic Mass	357.248 Da
Topological Polar Surface Area	30.900 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	473.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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