CAS: 406913-93-7; (S)-(1,4-Dioxan-2-yl)Methanol

该化合物是1,4-二氧烷的手性衍生物,在二氧烷环的2位置上有一个氢氧化甲基组.其立体特性(S)配置使其在不对称合成和制药应用中具有价值,因为对应纯度至关重要.该化合物的极化物和酒精功能提高了其在有机和水媒介中的溶解性,促进将其用作精细化学合成的构件.在温和条件下稳定且与进一步功能化相容,使它成为生产大皮,催化剂或生物活性分子的多功能中间体.二氧烷环的结构僵硬性也有助于控制合成途径的立体化学结果.

英文名称(S)-(1,4-Dioxan-2-yl)Methanol
中文名称(S)-(1,4-二噁烷-2-基)甲醇
IUPAC名称(S)-(1,4-dioxan-2-yl)methanol
其它别名(2S)-1,4-二恶烷-2-甲醇; Nantong Advanced Biomedical Technology Co., Ltd
CAS编号406913-93-7
MFCD编号:MFCD16652371
EINECS号:873-206-9
分子式:C5H10O3分子量:118.13
产品CID: 1420900
产品分类有机原料→分子砌块→脂肪杂环类化合物→其它脂肪杂环类化合物

相似结构搜索
InChIKey: CMEPUAROFJSGJN-YFKPBYRVSA-N
InChI=1S/C5H10O3/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2/t5-/m0/s1
计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

相似化合物

29908-11-0 406913-88-0 89364-41-0

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
水生慢性毒性类别3
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2A
易燃液体类别4
警示词Warning(警告)
危险描述H302 |吞咽有害.
H412 |对水生生物有害并具有长期持续影响.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H227 |可燃液体
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
UN编号UN1993
危险品标志Xi

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

合成目标产物 (2S)-1,4-Dioxan-2-Yl-Methanol 主要起始原料 1,4-Dioxane, 2-[(Phenylmethoxy)Methyl]-, (2S)-
(文献来源)合成步骤主要原料 1,4-Dioxane, 2-[(Phenylmethoxy)Methyl]-, (2S)-

📜2-羟基甲基-1,4-二氧杂烷置于吡啶,Sodium Hydroxide,R(+)-Alpha-甲基苄胺体系中,用异丙醇作为反应溶剂,化学反应 2.0H,反应生成 (2S)-1,4-二恶烷-2-甲醇
参考文献:Pallavicini,Marco; Valoti,Ermanno; Villa,Luigi,Enantiomer,2001,Vol. 6,# 5,P. 267-273
标题:Pallavicini,Marco; Valoti,Ermanno; Villa,Luigi,Enantiomer,2001,Vol. 6,# 5,P. 267-273

海关参考信息

2905122000-异丙醇
2905310000-1,2-乙二醇
2905320000-1,2-丙二醇
2905399001-1,3-丙二醇
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-2022073513-A1
优先权日:2018-12-29
标题:1h-pyrrolo[2,3-b]pyridine derivatives and related compounds as bcl-2 inhibitors for the treatment of neoplastic and autoimmune diseases
发明人：CHEN YI
权利人:NEWAVE PHARMACEUTICAL INC
摘要:The present invention relates to compounds of Formula (II) and more preferably to 1H-pyrrolo[2,3-b]pyridine derivatives of formula (III) and related compounds. The variables are defined in the claims. The compounds are BCL-2 inhibitors for treating neoplastic, autoimmune or neurodegenerative diseases. The present description discloses the synthesis of exemplary compounds as well as pharmacological data thereof (pages 61 to 72; examples 1 to 4; tables). An exemplary compound is e.g. 4-(4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl]piperazin-1-yl)-2-[methyl(1H-pyrrolo[2,3-b]pyridin-5-yl)phosphoroso]-N-[3-nitro-4-[(oxan-4-yl methyl)amino]benzenesulfonyl]benzamide (example 1).

专利号:US-2023119463-A1
优先权日:2019-12-27
标题 :1h-pyrrolo[2,3-b]pyridine derivatives as bcl-2 inhibitors for the treatment of neoplastic and autoimmune diseases
发明人：CHEN YI
权利人:NEWAVE PHARMACEUTICAL INC
摘要:The present invention relates to 1H-pyrrolo[2,3-b]pyridine derivatives and related compounds as BCL-2 inhibitors for treating neoplastic, autoimmune or neurodegenerative diseases. The present description discloses the synthesis and characterisation of exemplary compounds as well as pharmacological data thereof (e.g. pages 162 to 233; examples 1 to 8; table; compound examples cpd-1 to cpd-135; biological examples 1 to 4).

专利号:WO-2021133817-A1
优先权日:2019-12-27
标题 :1h-pyrrolo[2,3-b]pyridine derivatives as bcl-2 inhibitors for the treatment of neoplastic and autoimmune diseases
发明人：CHEN YI
权利人:GUANGZHOU LUPENG PHARMACEUTICAL COMPANY LTD; NEWAVE PHARMACEUTICAL INC
摘要:The present invention relates to lH-pyrrolo[2,3-b]pyridine derivatives and related compounds as BCL-2 inhibitors for treating neoplastic, autoimmune or neurodegenerative diseases. The present description discloses the synthesis and characterisation of exemplary compounds as well as pharmacological data thereof (e.g. pages 162 to 233; examples 1 to 8; table; compound examples cpd-1 to cpd-135; biological examples 1 to 4).