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【结 构 式】

【分子编号】60250

【品名】1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydro-2-naphthalenol

【CA登记号】

【 分 子 式 】C15H22O

【 分 子 量 】218.33908

【元素组成】C 82.52% H 10.16% O 7.33%

与该中间体有关的原料药合成路线共 2 条

合成路线1

该中间体在本合成路线中的序号:(I)

 

1 ZhangL.Badea BA, Enyeart D,et aL 1995. Synthesis of isotopically labeled 4{1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydnr2-napluhyl) ethenyl] benzoic aci/l (LGD1069),apotent retinoid Xtecerjtor-se-lective Ligand.J LabeIComp Radiopharm, 36 (7): 701~712
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 60250 1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydro-2-naphthalenol C15H22O 详情 详情
(II) 60251 1,1,4,4,6-pentamethyl-1,4-dihydronaphthalene C15H20 详情 详情
(III) 35217 1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene C15H22 详情 详情
(IV) 25029 p-Phthalic acid monomethyl ester chloride; Terephthalic acid monomethyl ester chloride; Methyl 4-chlorocarbonylbenzoate 7377-26-6 C9H7ClO3 详情 详情
(V) 35218 methyl 4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]benzoate C24H28O3 详情 详情
(VI) 60246 methyl 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)ethenyl]benzoate C25H30O2 详情 详情

合成路线2

该中间体在本合成路线中的序号:(IV)

The intermediate tetrahydronaththalene (VI) has been prepared by an alternative procedure. Friedel-Crafts condensation of dihydro-2,2,5,5-tetramethyl-3(2H)-furanone (I) with toluene (II) by means of AlCl3 produces tetrahydronaphthalenone (III). This is reduced to alcohol (IV) employing NaBH4 in MeOH. Subsequent dehydration of (IV) with POCl3 in pyridine leads to the dihydronaphthalene (V). Then, catalytic hydrogenation of (V) over Pd/C provides the key pentamethyltetrahydronaphthalene (VI)

1 Zhang, L.; Badea, B.A.; Enyeart, D.; Berger, E.M.; Mais, D.E.; Boehm, M.F.; Syntheses of isotopically labeled 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethenyl]benzoic acid (LGD1069), a potent retinoid X receptor-selective ligand. J Label Compd Radiopharm 1995, 36, 7, 701.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 60248 2,2,5,5-tetramethyldihydro-3(2H)-furanone C8H14O2 详情 详情
(II) 12890 Toluene 108-88-3 C7H8 详情 详情
(III) 60249 1,1,4,4,7-pentamethyl-3,4-dihydro-2(1H)-naphthalenone C15H20O 详情 详情
(IV) 60250 1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydro-2-naphthalenol C15H22O 详情 详情
(V) 60251 1,1,4,4,6-pentamethyl-1,4-dihydronaphthalene C15H20 详情 详情
(VI) 35217 1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene C15H22 详情 详情
Extended Information