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CS-W001157 4
Total: USD 88.00

trans-Methyl 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate

  • CAS No. 701232-67-9

  • Cat. No. CS-M1584
  • Purity≥95%
  • MDL No.MFCD22199238

*For research and further manufacturing use only, not for direct human use.

trans-Methyl 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate|CS-M1584

Structure of 701232-67-9

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General Information

  • CAS No. 701232-67-9
  • Cat. No. CS-M1584
  • Purity ≥95%
  • MDL No. MFCD22199238
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀O₃
  • Molecular Weight 248.32
  • Synonym(s) Methyl 2-((1s,4s)-4-(4-hydroxyphenyl)cyclohexyl)acetate
  • SMILES O=C(OC)C[C@H]1CC[C@H](C2=CC=C(O)C=C2)CC1

Synthesis

  • Route1
    • Methyl 2-(4-(4-hydroxyphenyl)cyclohexylidene)acetate|CS-M1977
      701232-66-8
    • ~57%
    • In-stock
      trans-Methyl 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate|CS-M1584
      701232-67-9

    References

    • Fox, Brian M.; Sugimoto, Kazuyuki; Iio, Kiyosei; Yoshida, Atsuhito; Zhang, Jian; Li, Kexue; Hao, Xiaolin; Labelle, Marc; Smith, Marie-Louise; Rubenstein, Steven M.; Ye, Guosen; McMinn, Dustin; Jackson, Simon; Choi, Rebekah; Shan, Bei; Ma, Ji; Miao, Shichang; Matsui, Takuya; Ogawa, Nobuya; Suzuki, Masahiro; Kobayashi, Akio; Ozeki, Hidekazu; Okuma, Chihiro; Ishii, Yukihito; Tomimoto, Daisuke; Furakawa, Noboru; Tanaka, Masahiro; Matsushita, Mutsuyoshi; Takahashi, Mitsuru; Inaba, Takashi; Sagawa, Shoichi; Kayser, Frank Journal of Medicinal Chemistry, 2014 , vol. 57, # 8 p. 3464 - 3483
  • Route2

    References

    • Fox, Brian M.; Sugimoto, Kazuyuki; Iio, Kiyosei; Yoshida, Atsuhito; Zhang, Jian; Li, Kexue; Hao, Xiaolin; Labelle, Marc; Smith, Marie-Louise; Rubenstein, Steven M.; Ye, Guosen; McMinn, Dustin; Jackson, Simon; Choi, Rebekah; Shan, Bei; Ma, Ji; Miao, Shichang; Matsui, Takuya; Ogawa, Nobuya; Suzuki, Masahiro; Kobayashi, Akio; Ozeki, Hidekazu; Okuma, Chihiro; Ishii, Yukihito; Tomimoto, Daisuke; Furakawa, Noboru; Tanaka, Masahiro; Matsushita, Mutsuyoshi; Takahashi, Mitsuru; Inaba, Takashi; Sagawa, Shoichi; Kayser, Frank Journal of Medicinal Chemistry, 2014 , vol. 57, # 8 p. 3464 - 3483
  • Route3

    References

    • MERCK SHARP and DOHME CORP.; GRAHAM, Thomas, H.; SHEN, Dong-Ming; NARGUND, Ravi, P.; DEVITA, Robert, J.; YU, Yang; LIU, Wensheng Patent: WO2012/122075 A1, 2012 ; WO 2012/122075 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   3.2291
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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