2.3-Dimethyl-phenylpropionat | 5384-58-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 2.3-Dimethyl-phenylpropionat
• 英文别名: Propionsaeure-(2,3-dimethyl-phenylester)；Dimethyl-2.3-phenylpropionat；Propionic acid, 2,3-dimethylphenyl ester；(2,3-dimethylphenyl) propanoate
• CAS: 5384-58-7
• 化学式: C₁₁H₁₄O₂
• mdl: MFCD25977870
• 分子量: 178.231
• InChiKey: RVZGETIBLNCJPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2.3-Dimethyl-phenylpropionat 在 三氯化铝 作用下， 生成 2,3-Dimethyl-4-propionyl-phenol
  参考文献：
  名称：

  Krausz,F. et al., Bulletin de la Societe Chimique de France, 1966, p. 640 - 645

  摘要：

  DOI：
• 作为产物：
  描述：

  、 双(二苯基磷)乙炔 以91%的产率得到
  参考文献：
  名称：

  ASHBY G. S.; BRUCE M. I.; TOMKINS I. B.; WALLIS R. C., AUSTRAL. J. CHEM., 1979, 32, NO 5, 1003-1016

  摘要：

  DOI：

文献信息

• [EN] ANALOGS OF DISCODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF<br/>[FR] ANALOGUES DE DISCODERMOLIDE ET DE DICTYOSTATINE-1, INTERMEDIAIRES CORRESPONDANTS, ET PROCEDES DE SYNTHESE CORRESPONDANTS
  申请人：UNIV PITTSBURGH

  公开号：WO2004022552A1

  公开（公告）日：2004-03-18

  A compound of the following structure: wherein R1 is H, an alkyl group, an aryl group, an alkenyl group, an alkynyl group, or a halogen atom; R2 is H, an alkyl group, an aryl group, a benzyl group, a trityl group, -SiRaRbRc, CH2ORd, or CORe; Ra, Rb and Rc are independently an alkyl group or an aryl group; Rd is an alkyl group, an aryl group, an alkoxylalkyl group, -RiSiRaRbRc or a benzyl group, wherein Ri is an alkylene group; Re is an alkyl group, an allyl group, a benzyl group, an aryl group, an alkoxy group, or -NRgRh, wherein Rg and Rh are independently H, an alkyl group or an aryl group; R3 is (CH2)n where n is and integer in the range of 0 to 5, -CH2CH(CH3)-, -CH=CH-, -CH=C(CH3)-, or -C=-C-; R4 is (CH2)p where p is an integer in the range of 4 to 12, -(CHRkl)yl (CHRk2)y2(CHRk3)y3(CHRk4)y4(CHRk5)y5C(Rsl )=C(Rs2)C(Rs3)=C(Rs4)-, -(CHRk1 )yl (CHRk2)y2(CHRk3)y3(CHRk4)y4(CHRk5)y5CH(Rs I)CH(Rs2)C(Rs3)=C(Rs4)-, -(CHRk1)yl (CHRk2)y2(CHRk3)y3(CHRk4)y4(CHRks)y5C(Rsl)=C(Rs2)CH(Rs3)CH(Rs4)-, -(CHRkI )yl (CHRk2)y2(CHRk3)y3(CHRk4)y4(CHRk5)y5CH(Rsl)CH(Rs2)CH(Rs3)CH(R s4)-, wherein y1 and y2 are 1 and y3, y4 and y5 are independently 0 or 1, Rk1, Rk2, Rk3, Rk4 and Rk5 are independently H, CH3, or OR2a, and Rs1, Rs2, Rs3, and Rs4 are independently H or CH3, wherein R2a is H, an alkyl group, an aryl group, a benzyl group, a trityl group, -SiRaRbRc, CH2ORd, or CORe; and R5 is H or OR2b, wherein R2b is H, an alkyl group, an aryl group, an aryl group, a benzyl group, a trityl group, -SiRaRbRc, CH2ORd, or CORe; provided that the compound is not dictyostatin 1.

  以下是该结构的化合物：其中R1为H、烷基基团、芳基、烯基基团、炔基基团或卤素原子；R2为H、烷基基团、芳基、苄基、三苄基、-SiRaRbRc、CH2ORd或CORe；Ra、Rb和Rc独立地为烷基基团或芳基；Rd为烷基基团、芳基、烷氧基烷基团、-RiSiRaRbRc或苄基，其中Ri为烷基烷基团；Re为烷基基团、烯丙基基团、苄基、芳基、烷氧基或-NRgRh，其中Rg和Rh独立地为H、烷基基团或芳基；R3为(CH2)n，其中n为0到5范围内的整数，-CH2CH(CH3)-、-CH=CH-、-CH=C(CH3)-或-C=-C-；R4为(CH2)p，其中p为4到12范围内的整数，-(CHRkl)yl (CHRk2)y2(CHRk3)y3(CHRk4)y4(CHRk5)y5C(Rsl )=C(Rs2)C(Rs3)=C(Rs4)-、-(CHRk1 )yl (CHRk2)y2(CHRk3)y3(CHRk4)y4(CHRk5)y5CH(Rs I)CH(Rs2)C(Rs3)=C(Rs4)-、-(CHRk1)yl (CHRk2)y2(CHRk3)y3(CHRk4)y4(CHRks)y5C(Rsl)=C(Rs2)CH(Rs3)CH(Rs4)-、-(CHRkI )yl (CHRk2)y2(CHRk3)y3(CHRk4)y4(CHRk5)y5CH(Rsl)CH(Rs2)CH(Rs3)CH(R s4)-，其中y1和y2为1，y3、y4和y5独立地为0或1，Rk1、Rk2、Rk3、Rk4和Rk5独立地为H、CH3或OR2a，Rs1、Rs2、Rs3和Rs4独立地为H或CH3，其中R2a为H、烷基基团、芳基、苄基、三苄基、-SiRaRbRc、CH2ORd或CORe；R5为H或OR2b，其中R2b为H、烷基基团、芳基、芳基、苄基、三苄基、-SiRaRbRc、CH2ORd或CORe；前提是该化合物不是dictyostatin 1。
• Analogs of discodermolide and dictyostatin-1, intermediates therefor and methods of synthesis thereof
  申请人：——

  公开号：US20040186165A1

  公开（公告）日：2004-09-23

  A compound of the following structure: 1 wherein R 1 is H, an alkyl group, an aryl group, an alkenyl group, an alkynyl group, or a halogen atom; R 2 is H, an alkyl group, an aryl group, a benzyl group, a trityl group, —SiR a R b R c , CH 2 OR d , or COR e ; R a , R b and R c are independently an alkyl group or an aryl group; R d is an alkyl group, an aryl group, an alkoxylalkyl group, —R i SiR a R b R c or a benzyl group, wherein R i is an alkylene group; R e is an alkyl group, an allyl group, a benzyl group, an aryl group, an alkoxy group, or —NR g R h , wherein R g and R h are independently H, an alkyl group or an aryl group; R 3 is (CH 2 ) n where n is and integer in the range of 0 to 5, —CH 2 CH(CH 3 )—, —CH═CH—, —CH═C(CH 3 )—, or —C≡C—; R 4 is (CH 2 ) p where p is an integer in the range of 4 to 12, —(CHR k1 ) y1 (CHR k2 ) y2 (CHR k3 ) y3 (CHR k4 ) y4 (CHR k5 ) y5 C(R s1 )═C(R s2 )C(R s3 )═C(R s4 )—, —(CHR k1 ) y1 (CHR k2 ) y2 (CHR k3 ) y3 (CHR k4 ) y4 (CHR k5 ) y5 CH(R s1 )CH(R s2 )C(R s3 )═C(R s4 )—, —(CHR k1 ) y1 (CHR k2 ) y2 (CHR k3 ) y3 (CHR k4 ) y4 (CHR k5 ) y5 C(R s1 )═C(R s2 )CH(R s3 )CH(R s4 )—, —(CHR k1 ) y1 (CHR k2 ) y2 (CHR k3 ) y3 (CHR k4 ) y4 (CHR k5 ) y5 CH(R s1 )CH(R s2 )CH(R s3 )CH(R s4 )—, wherein y1 and y2 are 1 and y3, y4 and y5 are independently 0 or 1, R k1 , R k2 , R k3 , R k4 and R k5 are independently H, CH 3 , or OR 2a , and R s1 , R s2 , R s3 , and R s4 are independently H or CH 3 , wherein R 2a is H, an alkyl group, an aryl group, a benzyl group, a trityl group, —SiR a R b R c , CH 2 OR d , or COR e ; and R 5 is H or OR 2b , wherein R 2b is H, an alkyl group, an aryl group, an aryl group, a benzyl group, a trityl group, —SiR a R b R c , CH 2 OR d , or COR e ; provided that the compound is not dictyostatin 1.

  以下结构的化合物：其中R1为H、烷基、芳基、烯基、炔基或卤素原子；R2为H、烷基、芳基、苄基、三苯甲基、—SiRaRbRc、CH2ORd或CORe；Ra、Rb和Rc独立地为烷基或芳基；Rd为烷基、芳基、烷氧基烷基、—RiSiRaRbRc或苄基，其中Ri为烷基；Re为烷基、烯丙基、苄基、芳基、烷氧基或—NRgRh，其中Rg和Rh独立地为H、烷基或芳基；R3为(CH2)n，其中n为0至5范围内的整数，—CH2CH(CH3)—、—CH═CH—、—CH═C(CH3)—或—C≡C—；R4为(CH2)p，其中p为4至12范围内的整数，—(CHRk1)y1(CHRk2)y2(CHRk3)y3(CHRk4)y4(CHRk5)y5C(Rs1)═C(Rs2)C(Rs3)═C(Rs4)—、—(CHRk1)y1(CHRk2)y2(CHRk3)y3(CHRk4)y4(CHRk5)y5CH(Rs1)CH(Rs2)C(Rs3)═C(Rs4)—、—(CHRk1)y1(CHRk2)y2(CHRk3)y3(CHRk4)y4(CHRk5)y5C(Rs1)═C(Rs2)CH(Rs3)CH(Rs4)—、—(CHRk1)y1(CHRk2)y2(CHRk3)y3(CHRk4)y4(CHRk5)y5CH(Rs1)CH(Rs2)CH(Rs3)CH(Rs4)—，其中y1和y2为1，y3、y4和y5独立地为0或1，Rk1、Rk2、Rk3、Rk4和Rk5独立地为H、CH3或OR2a，而Rs1、Rs2、Rs3和Rs4独立地为H或CH3，其中R2a为H、烷基、芳基、苄基、三苯甲基、—SiRaRbRc、CH2ORd或CORe；而R5为H或OR2b，其中R2b为H、烷基、芳基、苄基、三苯甲基、—SiRaRbRc、CH2ORd或CORe；但该化合物不是二叉鞘菌素1。
• ANALOGS OF DICODERMOLIDE AND DICTYOSTATIN-1, INTERMEDIATES THEREFOR AND METHODS OF SYNTHESIS THEREOF
  申请人：CURRAN DENNIS P.

  公开号：US20090036691A1

  公开（公告）日：2009-02-05

  A compound of the following structure: wherein R 1 is H, an alkyl group, an aryl group, an alkenyl group, an alkynyl group, or a halogen atom; R 2 is H, an alkyl group, an aryl group, a benzyl group, a trityl group, —SiR a R b R c , CH 2 OR d , or COR e ; R a , R b and R c are independently an alkyl group or an aryl group; R d is an alkyl group, an aryl group, an alkoxylalkyl group, —R i SiR a R b R c or a benzyl group, wherein R i is an alkylene group; R e is an alkyl group, an allyl group, a benzyl group, an aryl group, an alkoxy group, or —NR g R h , wherein R g and R h are independently H, an alkyl group or an aryl group; R 3 is (CH 2 ) n where n is and integer in the range of 0 to 5, —CH 2 CH(CH 3 )—, —CH═CH—, —CH═C(CH 3 )—, or —C≡C—; R 4 , wherein y1 and y2 are 1 and y3, y4 and y5 are independently 0 or 1, R k1 , R k2 , R k3 , R k4 and R k5 are independently H, CH 3 , or OR 2a , and R s1 , R s2 , R s3 , and R s4 are independently H or CH 3 , wherein R 2a is H, an alkyl group, an aryl group, a benzyl group, a trityl group, —SiR a R b R c , CH 2 OR d , or COR e ; and R 5 is H or OR 2b , wherein R 2b is H, an alkyl group, an aryl group, an aryl group, a benzyl group, a trityl group, —SiR a R b R c , CH 2 OR d , or COR e .

  以下为结构式的化合物： 其中R1为H、烷基、芳基、烯基、炔基或卤素原子； R2为H、烷基、芳基、苯甲基、三苯甲基、—SiRaRbRc、CH2ORd或CORe； Ra、Rb和Rc独立地为烷基或芳基； Rd为烷基、芳基、烷氧基烷基、—RiSiRaRbRc或苯甲基，其中Ri为烷基； Re为烷基、烯丙基、苯甲基、芳基、烷氧基或—NRgRh，其中Rg和Rh独立地为H、烷基或芳基； R3为(CH2)n，其中n为0至5的整数，—CH2CH(CH3)—、—CH═CH—、—CH═C(CH3)—或—C≡C—； R4为H或OR2b，其中y1和y2为1，y3、y4和y5独立地为0或1，Rk1、Rk2、Rk3、Rk4和Rk5独立地为H、CH3或OR2a，而Rs1、Rs2、Rs3和Rs4独立地为H或CH3，其中R2a为H、烷基、芳基、苯甲基、三苯甲基、—SiRaRbRc、CH2ORd或CORe；而R2b为H、烷基、芳基、苯甲基、三苯甲基、—SiRaRbRc、CH2ORd或CORe。
• MARTIN R., BULL. SOC. CHIM. FRANCE, 1979, PART. 2, NO 7-8, 373-380
  作者：MARTIN R.

  DOI：——

  日期：——
• US4056572A
  申请人：——

  公开号：US4056572A

  公开（公告）日：1977-11-01