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(S)-2-[(2,4-Dichloro-phen-yl)(hy-droxy)meth-yl]-5,5-dimethyl-1,3,2-dioxa-phosphinane 2-oxide.

ABSTRACT: In the title mol-ecule, C(12)H(15)Cl(2)O(4)P, the cyclic dioxaphosphinane ring adopts a chair conformation. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains propagating along the b axis.

SUBMITTER: Wang C

PROVIDER: S-EPMC3100063 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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(S)-2-[(2,4-Dichloro-phen-yl)(hy-droxy)meth-yl]-5,5-dimethyl-1,3,2-dioxa-phosphinane 2-oxide.

Wang Chubei C Peng Hao H Tan Xiaosong X He Hongwu H

Acta crystallographica. Section E, Structure reports online 20110319 Pt 4

In the title mol-ecule, C(12)H(15)Cl(2)O(4)P, the cyclic dioxaphosphinane ring adopts a chair conformation. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into chains propagating along the b axis. ...[more]

PMID: 21754191

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2-[(4-Chloro-phen-yl)(hy-droxy)meth-yl]-5,5-dimethyl-1,3,2-dioxaphosphinan-2-one.

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Methyl 2-(5,5-dimethyl-1,3,2-dioxa-borinan-2-yl)-4-nitro-benzoate.

Project description:The six-membered boronate ester ring of the title compound, C(13)H(16)BNO(6), adopts an envelope conformation with the C atom bearing the dimethyl substituents at the flap. The O-B-C-C torsion angles between the boronate group and the benzene ring are 72.5?(2) and 81.0?(2)°. The 4-nitro-benzoate unit adopts a slightly twisted conformation, with dihedral angles between the benzene ring and the nitrate and methyl ester groups of 17.5?(2) and 14.4?(3)°, respectively. In the crystal, inversion-related pairs of mol-ecules show weak ?-? stacking inter-actions [centroid-centroid distance = 4.0585?(9)?Å and inter-planar spacing = 3.6254?(7)?Å].

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rac-4-Chloro-2-[({2-[(3-chloro-6-hy-droxy-2,4-dimethyl-benz-yl)(meth-yl)amino]-prop-yl}(meth-yl)amino)-meth-yl]-3,5-dimethyl-phenol.

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3-Hy-droxy-2-[(4-hy-droxy-3,5-dimeth-oxy-phen-yl)(2-hy-droxy-4,4-dimethyl-6-oxo-cyclo-hex-1-en-1-yl)meth-yl]-5,5-dimethyl-cyclo-hex-2-en-1-one.

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3-Hy-droxy-2-[(2-hy-droxy-4,4-dimethyl-6-oxocyclo-hex-1-en-1-yl)(3-nitro-phen-yl)meth-yl]-5,5-dimethyl-cyclo-hex-2-en-1-one.

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2,2'-[(3-Bromo-4-hy-droxy-5-meth-oxy-phen-yl)methyl-idene]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

Project description:In the title compound, C(24)H(29)BrO(6), the dihedral angle between the cyclo-hexenone mean planes is 57.63?(2)° while the dihedral angles between the benzene ring and the cyclo-hexenone mean planes are 58.42?(2) and 69.08?(3)°. The two cyclo-hexenone rings both show an envelope conformation, with the C atom bearing two methyl groups as the flap atom in each ring. Two intra-molecular O-H?O hydrogen bonds occur. In the crystal, molecules are linked via pairs of O-H?O hydrogen bonds, forming inversion dimers.

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9?-Hy-droxy-12-{[4-(4-hy-droxy-phen-yl)piperazin-1-yl]meth-yl}-4,8-dimethyl-3,14-dioxatri-cyclo-[9.3.0.0(2,4)]tetra-dec-7-en-13-one.

Project description:The title compound, C25H34N2O5, was synthesized from 9?-hy-droxy-parthenolide (9?-hy-droxy-4,8-dimethyl-12-methylen-3, 14-dioxa-tri-cyclo-[9.3.0.0(2,4)]tetra-dec-7-en-13-one), which in turn was isolated from the chloro-form extract of the aerial parts of Anvillea radiata. The mol-ecule comprises a ten-membered ring fused to a five-membered ring with an additional ep-oxy ring system fused to the ten-membered ring. The five-membered ring also carries a 4-hy-droxy-phenyl-piperazin-1-ylmethyl substituent. The ten-membered ring adopts an approximate chair-chair conformation, while the piperazine ring displays a chair conformation and the five-membered ring shows an envelope conformation with the C atom closest to the hy-droxy group forming the flap. Two C atoms in the phenyl ring and the O atom of the hydroxyl group are disordered over two sites, with an occupancy ratio of 0.53?(5):0.47?(5). An intra-molecular O-H?N hydrogen-bond stabilizes the mol-ecular conformation. In the crystal, C-H?O hydrogen bonds link the mol-ecules into zigzag chains running along the a-axis direction.

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