3-[(2R)-2-[bis(trimethylsilyl)amino]-2-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]ethyl]-2-methoxy-benzoic acid 1,1-dimethylethyl ester | 1256336-53-4

分子结构分类

有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质

中文名称

——

中文别名

——

英文名称

3-[(2R)-2-[bis(trimethylsilyl)amino]-2-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]ethyl]-2-methoxy-benzoic acid 1,1-dimethylethyl ester

英文别名

[(1R)-1-[bis(trimethylsilyl)amino]-2-(3-tert-butoxycarbonyl-2-methoxy-phenyl)ethyl]boronic acid (+)-pinanediol ester；Mry8C4FJ96；tert-butyl 3-[(2R)-2-[bis(trimethylsilyl)amino]-2-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethyl]-2-methoxybenzoate

3-[(2R)-2-[bis(trimethylsilyl)amino]-2-[(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]ethyl]-2-methoxy-benzoic acid 1,1-dimethylethyl ester化学式

CAS

1256336-53-4

化学式

C₃₀H₅₂BNO₅Si₂

mdl

——

分子量

573.729

InChiKey

AJPIZQCRQBLANJ-NLZDVDQESA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.8
重原子数：

39
可旋转键数：

10
环数：

5.0
sp3杂化的碳原子比例：

0.77
拓扑面积：

57.2
氢给体数：

0
氢受体数：

6

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	[(1S)-2-(3-tert-butoxycarbonyl-2-methoxy-phenyl)-1-chloro-ethyl]boronic acid (+)-pinanediolato diester	1613269-49-0	C₂₄H₃₄BClO₅	448.795
——	2-methoxy-3-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]dec-4-ylmethyl)benzoic acid tert-butyl ester	1155425-68-5	C₂₃H₃₃BO₅	400.323
——	3-tert-butyloxycarbonyl-2-methoxy-phenylboronic acid (+)-pinanediolato diester	1155425-67-4	C₂₂H₃₁BO₅	386.296
——	3-carboxy-2-methoxy-phenyl-boronic acid (+)-pinanediolato diester	1155425-58-3	C₁₈H₂₃BO₅	330.189

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	3-[2-(2-(4-formyl-phenyl)-acetylamino)-2-(2,9,9-trimethyl-3,5-doxa-4-bora-tricyclo[6.1.1.0.(2,6)]dec-4-yl)-ethyl]-2-methoxy-benzoic acid tert-butyl ester	1256337-17-3	C₃₃H₄₂BNO₇	575.51
——	2-methoxy-3-[2-[2-(4-methylaminomethyl-phenyl)-acetylamino]-2-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0(2,6)]dec-4-yl)-ethyl]-benzoic acid tert-butyl ester	1256336-89-6	C₃₄H₄₇BN₂O₆	590.568
——	3-(2-(4-[2-hydroxy-ethylaminomethyl]-benzoylamino)-2-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0(2,6)]dec-4-yl)-ethyl)-2-methoxy-benzoic acid tert-butyl ester	1256336-63-6	C₃₄H₄₇BN₂O₇	606.567
——	3-[2-(3-formyl-benzoylamino)-2-(2,9,9-trimethyl-3,5-doxa-4-bora-tricyclo[6.1.1.0.(2,6)]dec-4-yl)-ethyl]-2-methoxy-benzoic acid tert-butyl ester	1256336-65-8	C₃₂H₄₀BNO₇	561.483
——	3-[2-[2-(4-bromomethyl-phenyl)-acetylamino]-2-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0(2,6)]dec-4-yl)-methyl]-2-methoxy-benzoic acid tert-butyl ester	1256336-88-5	C₃₃H₄₃BBrNO₆	640.423
——	tert-butyl 3-((2R)-2-((isoindolin-5-yl)acetamido)-2-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0^2,6]dec-4-yl)ethyl)-2-methoxybenzoate	1618083-61-6	C₃₄H₄₅BN₂O₆	588.552
——	3-[2-(2-(4-((tert-butoxycarbonylmethyl)-aminomethyl)-phenyl)-acetylamino)-2-(2,9,9-trimethyl-3,5-doxa-4-bora-tricyclo[6.1.1.0.(2,6)]dec-4-yl)-ethyl]-2-methoxy-benzoic acid tert-butyl ester	1256337-19-5	C₃₉H₅₅BN₂O₈	690.685
——	2-methoxy-3-(2-((4-bromomethyl)-benzoylamino)-2-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0(2,6)]dec-4-yl)-ethyl)-benzoic acid tert-butyl ester	1256336-55-6	C₃₂H₄₁BBrNO₆	626.396
——	2-methoxy-3-[2-{4-{[pyridin-3-ylmethyl-amino]-methyl}-benzoylamino}-2-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6 1.1.0(2,6)]dec-4-yl)-ethyl]-benzoic acid tert-butyl ester	1256336-64-7	C₃₈H₄₈BN₃O₆	653.627
——	3-[2-[3-(tert-butoxycarbonylamino-methyl)-benzoylamino]-2-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0(2,6)]dec-4-yl)-ethyl]-2-methoxy-benzoic acid tert-butyl ester	1225042-71-6	C₃₇H₅₁BN₂O₈	662.632
——	{4-[2-(3-tert-butoxycarbonyl-2-methoxy-phenyl)-1-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6,1,1,0(2,6)]dec-4-yl)-ethylcarbamoyl]-benzyl}-2-tert-butoxycarbonylamino-ethylamine	1256336-62-5	C₃₉H₅₆BN₃O₈	705.7
——	3-[2-(2-(4-(pyridin-2-ylaminomethyl)-phenyl)-acetylamino)-2-(2,9,9-trimethyl-3,5-doxa-4-bora-tricyclo[6.1.1.0.(2,6)]dec-4-yl)-ethyl]-2-methoxy-benzoic acid tert-butyl ester	1256337-18-4	C₃₈H₄₈BN₃O₆	653.627
——	3-[2-[(4-(benzyloxycarbonylamino-imino-methyl)-phenyl)acetylamino]-2-(2,9,9-trimethyl-3,5-doxa-4-bora-tricyclo[6.1.1.0.(2,6)]dec-4-yl)-ethyl]-2-methoxy-benzoic acid tert-butyl ester	1256337-23-1	C₄₁H₅₀BN₃O₈	723.674
——	3-[2-{3-((2-tert-butoxycarbonylamino-ethylamino)-methyl)-benzoylamipo}-2-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0(2,6)]dec-4-yl)-ethyl]-2-methoxy-benzoic acid tert-butyl ester	1256336-66-9	C₃₉H₅₆BN₃O₈	705.7
——	2-methoxy-3-[2-[3-(thiazol-2-ylaminomethyl)-benzoylamino]-2-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0(2,6)]dec-4-yl)-ethyl]-benzoic acid tert-butyl ester	1256336-84-1	C₃₅H₄₄BN₃O₆S	645.628
——	tert-butyl 2-methoxy-3-((R)-2-(2-((1S,4R)-4-((S)-2,2,12,12-tetramethyl-4,10-dioxo-3,11-dioxa-5,9-diazatridecan-6-yl)cyclohexyl)acetamido)-2-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)ethyl)benzoate	1613270-30-6	C₄₅H₇₂BN₃O₁₀	825.892
——	2-methoxy-3-[2-((4-boc-piperazinylmethyl)-benzoylamino)-2-{2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0(2,6)]dec-4-yl}-ethyl]-benzoic acid tert-butyl ester	1256336-56-7	C₄₁H₅₈BN₃O₈	731.738
——	tert-butyl 3-((2R)-2-((2-benzyloxycarbonylisoindolin-5-yl)acetamido)-2-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.02,6]dec-4-yl)ethyl)-2-methoxybenzoate	1618083-60-5	C₄₂H₅₁BN₂O₈	722.687
——	1-{4-[2-(3-tert-butoxycarbonyl-2-methoxy-phenyl)-1-(2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0(2,6)]dec-4-yl)-ethyl-carbamoyl]benzyl}piperidine-3-caroxylic acid ethyl ester	1256336-59-0	C₄₀H₅₅BN₂O₈	702.696