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1-Phenyl-1,3-butanedione 1-苯基-1,3-丁二酮

规格: 98%

CAS: 93-91-4

产品编号: H33212

MDL: MFCD00008786

品牌: INFI

1.3-二酮系列产品

杂环化合物是有机化合物中数量最庞大的一个类别，约占总数的三分之二以上，是多种化学类药物的合成砌块，除此杂环化合物之外还应用于纳米材料、超导材料、农用化学品等的合成。而1, 3-二酮类化合物作为杂环化合物一类重要的合成子, 它的α位活泼亚甲基可通过手性催化剂、金属催化剂或廉价易得的碱，催化形成新的碳-碳键、碳-杂键等，从而高效合成一系列杂环化合物。例如：1,3-二酮化合物经过一系列串联反应，合成吡唑羧酸类杂环化合物[1]，这类分子具有KEAP1抑制活性，可以破坏NRF2和KEAP1蛋白之间相互作用，治疗慢性氧化应激疾病。

(a) DMF-DMA, TsOH, 130 °C, 15 min microwave；(b) 2-bromopyridine-6-hydrazine or 3-bromophenyl hydrazine, DIPEA, EtOH;

图一 Journal of Medicinal Chemistry, 2021, 64 , 15949-15972.

研峰科技拥有完整配套的研发生产设备，通过前期大量的工艺研究、公司规范有效的管控流程及智能管理系统，实现了1.3-二酮系列产品稳定量产，质量稳定，满足客户要求，还可以根据客户的需要进行定制。详细产品情况请致电客服人员（400-106-2016）进行咨询。

Chemical Name	Benzoylacetone
Synonym	Benzoylacetone {LY} Benzoylacetone benzoylacetone {} {LY} Benzoylacetone {} {} {LY} Benzoylacetone {} {} {} {LY} Benzoylacetone {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {PubChem} 1-phenyl-1,3-butanedione {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzoylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number	7,680
PubChem Substance ID	7166
CAS Number	93-91-4
EC Number	202-286-4
MDL Number	MFCD00008786
Reaxys-RN	742413
Chemical Name Translation	苯甲酰丙酮
LabNetwork Molecule ID	LN00192877
InChI	InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
Canonical SMILES	CC(CC(C1=CC=CC=C1)=O)=O

GHS Symbol

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   14,1325,1965

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,28,1953

WGK Germany	3
Personal Protective Equipment	Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word	Warning
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
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。 P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。 P264+P265 P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。 P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。 P302+P352 P304+P340 P305+P351+P338 P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。 P319 P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。 P332+P313 P332+P317 P337+P313 P337+P317 P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用 P362+P364 P403+P233 P405 Store locked up. 上锁保管。 P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECS	EK3540200
Storage condition	2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard statements
H315 Causes skin irritation 会刺激皮肤 H319 Causes serious eye irritation 严重刺激眼睛 H335 May cause respiratory irritation 可能导致呼吸道刺激

检定铊试剂。有机合成。

{uni_hamburg} Short: II/27B

{ALF} Dimetallated derivatives react with electrophiles preferentially at the terminal position; e.g. arylation by 2-chloroquinoline: J. Org. Chem., 37, 3199 (1972); J. Am. Chem. Soc., 97, 374 (1975). Reaction with aromatic esters gives 1,3-diaryl-1,3,5-pentanetriones, which can be cyclized with acid to -pyrones: Org. Synth. Coll., 5, 718, 721 (1973):

{ALD} Beilstein:7,680

93-91-4 H33212 1-Phenyl-1,3-butanedione
1-苯基-1,3-丁二酮

化学属性

Mol. Formula	C10H10O2
Mol. Weight	162.19
Density	1.09
Melting Point	54 - 56 °C(lit.)
TSCA	Yes
Boiling Point	260 - 262 °C
Solubility	不溶
Refractive index	1.56775
Stability	对湿度敏感
Flash Point	260 - 262 °C
Appearance	无色结晶，熔点61℃，沸点261-262℃，相对密度1.090（60/4℃），折光率1.5678（77.8℃），难溶于水，易溶于苯、氯仿、四氯化碳、醇、醚及浓碱溶液，有持久的刺激性气味。

*以上化合物性质及应用等信息仅供参考

手性催化剂及配体

合成砌块

医药中间体

1-Phenyl-1,3-butanedione 1-苯基-1,3-丁二酮

规格: 98%

1.3-二酮系列产品

化学属性

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