2-Benzyl-2-(dimethylamino)-4′-morpholinobutyrophenone - ≥95% , CAS No.119313-12-1

CAS: 119313-12-1 Cat. No.: B492941 Molecular Weight: 366.5 EC Number: 404-360-3

GRADE & PURITY ≥95%

Synonyms

.ALPHA.-BENZYL-.ALPHA.-(DIMETHYLAMINO)-4-MORPHOLINOBUTYROPHENONE | 2-(DIMETHYLAMINO)-1-(4-MORPHOLINOPHENYL)-2-BENZYL-1-BUTANONE | O10663 | DTXSID5044786 | EC 404-360-3 | 1-Butanone, 2-(dimethylamino)-1-(4-(4-morpholinyl)phenyl)-2-(phenylmethyl)- | efinaco

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

.ALPHA.-BENZYL-.ALPHA.-(DIMETHYLAMINO)-4-MORPHOLINOBUTYROPHENONE | 2-(DIMETHYLAMINO)-1-(4-MORPHOLINOPHENYL)-2-BENZYL-1-BUTANONE | O10663 | DTXSID5044786 | EC 404-360-3 | 1-Butanone, 2-(dimethylamino)-1-(4-(4-morpholinyl)phenyl)-2-(phenylmethyl)- | efinaco

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504755838
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755838
• Canonical Smiles: CCC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C)C
• IUPAC Name: 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one
• InChIKey: UHFFVFAKEGKNAQ-UHFFFAOYSA-N
• INCHI: 1S/C23H30N2O2/c1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3
• Isomeric SMILES: CCC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C)C
• WGK Germany: 2
• RTECS: EL7755000
• Molecular Weight: 366.5
• Reaxy-Rn: 9282119
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9282119&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: Retro-dihydrochalcones
• Alternative Parents: Alkyl-phenylketones Phenylmorpholines Butyrophenones Amphetamines and derivatives Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Aralkylamines Alpha-amino ketones Trialkylamines Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Retro-dihydrochalcone - Alkyl-phenylketone - Phenylmorpholine - Butyrophenone - Amphetamine or derivatives - Phenylketone - Tertiary aliphatic/aromatic amine - Aryl ketone - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - Aralkylamine - Benzenoid - Oxazinane - Morpholine - Monocyclic benzene moiety - Alpha-aminoketone - Ketone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Sensitivity: Sensitive to light
• Melt Point(°C): 116 °C
• Molecular Weight: 366.500 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 366.231 Da
• Monoisotopic Mass: 366.231 Da
• Topological Polar Surface Area: 32.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 461.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Fei Wang, Jinghua Zhao, Yi Li, Wei Liu, Hongkun Li, Yonggang Yang.  (2023)  Colorful patterned polyacrylate films prepared using cholesteric liquid-crystalline mixtures with a smectic order.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2023.2182925]

2. Chun Cao, Anguo Zhang, Xinyu Li, Junan Fang, Xiaoming Shen, Jiliang Ci, Cuifang Kuang.  (2026)  Thiol-ene click two-photon polymerization photoresists towards optical nanoprinting.  OPTICS AND LASER TECHNOLOGY,      [PMID:] [10.1016/j.optlastec.2026.115525]