CAS 768-95-6 MFCD00074729-1-Adamantanol 1-金刚烷醇 -LabNovo

1-Adamantanol 1-金刚烷醇

CAS 768-95-6 MFCD00074729

化学结构图

SMILES: O[C@@]12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 |&1:1,3,5,8|

化学属性

Mol. Formula	C10H16O
Mol. Weight	152.23
Density	1.16
Melting Point	247°C
TSCA	No
Flash Point	240°C
Boiling Point	214.73 °C at 760 mmHg

别名和识别编码

Chemical Name	1-Adamantanol
Synonym	1-Adamantanol {LY} 1-Adamantanol {} {LY} 1-Adamantanol {} {} {LY} 1-Adamantanol {} {} {} {LY} 1-Adamantanol {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {} {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Adamantanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number	768-95-6
EC Number	212-202-8
Beilstein Registry Number	1903952
MDL Number	MFCD00074729
PubChem Substance ID	87562445
Alfabeta Name	ADAMANTANOL 1--
Chemical Name Translation	1-金刚烷醇
Reaxys-RN	1903952
InChIKey	VLLNJDMHDJRNFK-UHFFFAOYSA-N
Wiswesser Line Notation	L66 B6/B-H/DI A B- C 1B ITJ BQ
LabNetwork Molecule ID	LN00179154
Canonical SMILES	OC12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3

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产品应用

用作合成金刚烷类的中间体。

安全信息

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。

RTECSAU4980000

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Warnings IRRITANT

Hazard Codes Xi

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 10,454,1976

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

图谱信息:1-金刚烷醇(768-95-6)核磁图( 13 CNMR) 1-金刚烷醇(768-95-6)红外图谱(IR2) 1-金刚烷醇(768-95-6)质谱(MS) 1-金刚烷醇(768-95-6)红外图谱(IR1) 1-金刚烷醇(768-95-6)核磁图( 1 HNMR) 1-金刚烷醇(768-95-6)Raman光谱
概述:1-金刚烷醇(英文1-Adamantanol)又称为1-氢氧基金刚烷、1-三环[3.3.1.1(3.7)]癸醇，常温下为白色结晶粉末，熔点>240℃，溶于有机溶剂，不溶于水，有升华性。用于制造合成金刚烷衍生物和阿达巴林。与偏二氯乙烯反应可得1-金刚烷乙酸。1-金刚烷乙酸进而溴化、水解为3-羟基-1-金刚烷乙酸，再与偏二氯乙烯反应即可得到1，3-金刚烷二乙酸。 1-金刚烷醇与乙酰苯胺在９８％硫酸介质中室温下发生傅克烷基化反应，可以直接合成1,3-二(4-乙酰氨基苯基)金刚烷，由其碱水解合成1,3-二(4-苯胺)金刚烷，该合成路线具有反应产率较高、易提纯等优点，大大方便了1,3-金刚烷二芳基衍生物的合成。
检测方法:HPLC,NMR,MS
用途二:用作合成金刚烷类的中间体。
Alfa Aesar:1-金刚醇98% 1-Adamantanol, 99%(768-95-6)
1-金刚烷醇价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 A0939 1-金刚醇 1-Adamantanol 250G 2990元 2014/06/02 A0939 1-金刚醇 1-Adamantanol 25G 574元 2010/06/21 157100050 1-金刚烷醇 1-Adamantanol 99% 5 GR 243元
MOL 文件:768-95-6.mol
上游原料:盐酸 --> 甲醇 --> 乙酸 --> N,N-二甲基甲酰胺 --> 溴 --> 硫代硫酸钠 --> 氧 --> 乙酸钴 --> 金刚烷 --> N-羟基邻苯二甲酰亚胺
升华点:240 °C
外观性质:白色晶体。熔点：240℃
用途一:用作合成金刚烷类的中间体
Acros Organics:1-金刚烷醇 1-Adamantanol, 99%(768-95-6)
MSDS 信息:1-Hydroxyadamantane(768-95-6).msds
Sigma Aldrich:768-95-6(sigmaaldrich)
TCI Shanghai:1-金刚醇 1-Adamantanol,>;98.0%(GC)(768-95-6)
海关编码:29061900
Hazard Note:Irritant