3-Hydroxy-1-methacryloyloxyadamantane - ≥98%(GC) , CAS No.115372-36-6

CAS: 115372-36-6 Cat. No.: H157098 Molecular Weight: 236.31 EC Number: 811-088-2

GRADE & PURITY ≥98%(GC)

Synonyms

HAMA | FT-0654528 | 3-Hydroxy-1-adamantyl methacrylate | SCHEMBL172072 | AC-22313 | DTXSID20921703 | 3-hydroxyadamantan-1-yl 2-methylprop-2-enoate | (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate | AMY11165 | Methacrylic Acid 3-Hydroxy-1-adamantyl Ester |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

HAMA | FT-0654528 | 3-Hydroxy-1-adamantyl methacrylate | SCHEMBL172072 | AC-22313 | DTXSID20921703 | 3-hydroxyadamantan-1-yl 2-methylprop-2-enoate | (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate | AMY11165 | Methacrylic Acid 3-Hydroxy-1-adamantyl Ester |

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504766790
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766790
• Canonical Smiles: CC(=C)C(=O)OC12CC3CC(C1)CC(C3)(C2)O
• IUPAC Name: (3-hydroxy-1-adamantyl) 2-methylprop-2-enoate
• InChIKey: OOIBFPKQHULHSQ-UHFFFAOYSA-N
• INCHI: 1S/C14H20O3/c1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14/h10-11,16H,1,3-8H2,2H3
• Isomeric SMILES: CC(=C)C(=O)OC12CC3CC(C1)CC(C3)(C2)O
• Molecular Weight: 236.31
• Reaxy-Rn: 11339416
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11339416&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Enoate esters Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

• Solubility: Soluble in methanol
• Flash Point(°C): 133 ºC
• Boil Point(°C): 329 ºC
• Melt Point(°C): 89.0to93.0℃
• Molecular Weight: 236.310 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 236.141 Da
• Monoisotopic Mass: 236.141 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 371.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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. Wu Weilong, Feng Shihao, Ouyang Qin, Yang Zengzhuan, He Liu, Huang Qing.  (2024)  A novel polymethyl methacrylate (PMMA) with excellent optical and thermal properties-bearing hydroxyadamamtyl substituent.  POLYMER BULLETIN,  81  (13): (12027-12043).  [PMID:] [10.1007/s00289-024-05286-x]

2. Zi-Hao Yang, Jing Zhao, Ya-Juan Cai, Xu Yang, Chuan-Zhe Zhao, Yang Liu, Yi-Bo Li, Ke-Xiao Sang, Yi-Xing Sun, Ya-Ge Wu, Nan-Jun Wei, Jing-Gang Gai.  (2024)  Synthesis of micro-crosslinked adamantane-containing matrix resins designed for deep-UV lithography resists and their application in nanoimprint lithography.  Nanoscale,  16  (24): (11651-11662).  [PMID:38847557] [10.1039/D4NR00844H]