ChemicalBook--->CAS DataBase List--->171290-52-1

171290-52-1

171290-52-1 Structure

171290-52-1 Structure
IdentificationBack Directory
[Name]

1-ETHYNYL-3 5-DIMETHOXYBENZENE 98
[CAS]

171290-52-1
[Synonyms]

1-Ethylnyl-3,5-dimethoxybenzene
-ETHYNYL-3 5-DIMETHOXYBENZENE 98
Benzene, 1-ethynyl-3,5-diMethoxy-
1-ETHYNYL-3 5-DIMETHOXYBENZENE 98
1-Ethynyl-3,5-diMethoxybenzene 98% (CP)
[Molecular Formula]

C10H10O2
[MDL Number]

MFCD03839985
[MOL File]

171290-52-1.mol
[Molecular Weight]

162.185
Chemical PropertiesBack Directory
[Melting point ]

44-48 °C(lit.)
[Boiling point ]

264.1±30.0℃ (760 Torr)
[density ]

1.06±0.1 g/cm3 (20 ºC 760 Torr)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder to crystal
[color ]

White to Orange to Green
[InChI]

InChI=1S/C10H10O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h1,5-7H,2-3H3
[InChIKey]

HUSBBWQIJMRKLI-UHFFFAOYSA-N
[SMILES]

C1(C#C)=CC(OC)=CC(OC)=C1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

36-42/43
[Safety Statements ]

22-26-36/37-45
[WGK Germany ]

3
[HS Code ]

2909309090
Hazard InformationBack Directory
[Description]

1-ethynyl-3,5-dimethoxybenzene is an organic reagent. Its benzene ring structure contains one acetylene group and two methoxy groups respectively, which are key structures for the synthesis of other heterocyclic compounds.
[Synthesis]

1-(2,2-dibromovinyl)-3,5-dimethoxybenzene

205746-51-6

1-ETHYNYL-3 5-DIMETHOXYBENZENE  98

171290-52-1

Under argon protection, 1-(2,2-dibromovinyl)-3,5-dimethoxybenzene (2.99 g, 9.28 mmol, 1 eq.) was dissolved in anhydrous tetrahydrofuran (50 mL) and stirred at -50 °C (dry ice/acetonitrile bath). Slowly n-butyllithium (24.0 mL, 1.6 M hexane solution, 38.4 mmol, 4.1 eq.) was added dropwise and the progress of the reaction was monitored by thin-layer chromatography (TLC) until the reaction was complete. The reaction mixture was quenched with saturated aqueous ammonium chloride solution (40 mL) and subsequently extracted with dichloromethane (3 x 20 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give an orange-brown oil (1.61 g). Purification by fast column chromatography (eluent: pure pentane followed by 19:1 pentane:ether) afforded a colorless crystalline solid 3,5-dimethoxyphenylacetylene (1.22 g, 81% yield) with Rf = 0.24 (pentane) and a melting point of 205 °C. The NMR hydrogen spectrum (400 °F) of 3,5-dimethoxyphenylacetylene was obtained as follows. Its NMR hydrogen spectrum (400.1 MHz, CDCl3) data were as follows: δ 6.72 (d, J = 2.3 Hz, 2H, ArH), 6.50 (t, J = 2.3 Hz, 1H, ArH), 3.76 (s, 6H, OCH3), 3.15 (s, 1H, C≡CH). The NMR carbon spectrum (100.6 MHz, CDCl3) data are as follows: δ 160.6 (C), 123.4 (C), 110.0 (CH), 102.3 (CH), 83.7 (C), 76.9 (CH), 55.4 (CH3).

[References]

[1] Tetrahedron Letters, 2009, vol. 50, # 17, p. 1969 - 1972
[2] Chemistry Letters, 2008, vol. 37, # 2, p. 174 - 175
[3] Beilstein Journal of Organic Chemistry, 2015, vol. 11, p. 273 - 279
[4] European Journal of Medicinal Chemistry, 2011, vol. 46, # 6, p. 2386 - 2396
[5] Tetrahedron, 2017, vol. 73, # 33, p. 5023 - 5028
Spectrum DetailBack Directory
[Spectrum Detail]

1-ETHYNYL-3 5-DIMETHOXYBENZENE 98(171290-52-1)1HNMR
171290-52-1 suppliers list
Company Name: Capot Chemical Co.,Ltd.
Tel: +86-(0)57185586718; +8613336195806 , +8613336195806
Website: http://www.capot.com
Company Name: Zhejiang ZETian Fine Chemicals Co. LTD
Tel: +8618957127338 , +8618957127338
Website: http://www.zetchem.com/
Company Name: Changzhou Ansciep Chemical Co., Ltd.
Tel: +86 519 86305871
Website: www.chemicalbook.com/ShowSupplierProductsList31173/0_EN.htm
Company Name: Alchem Pharmtech,Inc.
Tel: 8485655694
Website: www.chemicalbook.com/ShowSupplierProductsList454175/0_EN.htm
Company Name: Synbest Biotech(Hangzhou) Co., Ltd
Tel: 86-571-88737065
Website: www.chemicalbook.com/ShowSupplierProductsList158300/0_EN.htm
Company Name: CONIER CHEM AND PHARMA LIMITED
Tel: +8618523575427 , +8618523575427
Website: http://www.conier.com/
Company Name: career henan chemical co
Tel: +86-0371-86658258 +8613203830695 , +8613203830695
Website: www.coreychem.com
Company Name: Neostar United (Changzhou) Industrial Co., Ltd.
Tel: +86-0519-85551759 +8613506123987 , +8613506123987
Website: http://www.neostarunited.com
Company Name: Zhengzhou Alfa Chemical Co.,Ltd
Tel: +8618530059196 , +8618530059196
Website: www.chemicalbook.com/manufacturer/zhengzhou-alfa-chemical-276/
Company Name: HANGZHOU CLAP TECHNOLOGY CO.,LTD
Tel: 86-571-88216897,88216896 13588875226 , 13588875226
Website: www.hzclap.com/en
Company Name: AFINE CHEMICALS LIMITED
Tel: +86-0571-85134551
Website: www.afinechem.com/index.html
Company Name: Baoji Guokang Healthchem co.,ltd
Tel: +8615604608665 15604608665 , 15604608665
Website: www.gk-bio.com
Company Name: Dayang Chem (Hangzhou) Co.,Ltd.
Tel: +86-0571-88938639 +8617705817739 , +8617705817739
Website: www.dycnchem.com/
Company Name: CD Chemical Group Limited
Tel: +8615986615575 , +8615986615575
Website: http://www.codchem.com/
Company Name: Nextpeptide Inc
Tel: +86-0571-81612335 +8613336028439 , +8613336028439
Website: http://www.nextpeptide.com/
Company Name: Labnetwork lnc.
Tel: +86-27-50766799 +8618062016861 , +8618062016861
Website: www.labnetwork.com
Company Name: AstaTech(Chengdu) Biopharmaceutical Corp.
Tel: +86-02882666559 +86-15884417729 , +86-15884417729
Website: http://en.astatech.com.cn/
Company Name: Hefei TNJ Chemical Industry Co.,Ltd.
Tel: +86-0551-65418684 +8618949823763 , +8618949823763
Website: www.tnjchem.com
Tags:171290-52-1 Related Product Information
10401-11-3