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[ CAS No. 7381-30-8 ]

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2D
Chemical Structure| 7381-30-8
Chemical Structure| 7381-30-8
Structure of 7381-30-8 *Storage: {[proInfo.prStorage]}

Quality Control of [ 7381-30-8 ]

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Related Doc. of [ 7381-30-8 ]

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Product Details of [ 7381-30-8 ]

CAS No. :7381-30-8MDL No. :MFCD00009640
Formula :C8H22O2Si2Boiling Point :165-171°C at 760 mmHg
Linear Structure Formula :-InChI Key :JGWFUSVYECJQDT-UHFFFAOYSA-N
M.W :206.43Pubchem ID :81858
Synonyms :

Computed Properties of [ 7381-30-8 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 7381-30-8 ]

Signal Word:DangerClass3
Precautionary Statements:P210-P403+P235UN#:1993
Hazard Statements:H226Packing Group:
GHS Pictogram:

Application In Synthesis of [ 7381-30-8 ]

  • Downstream synthetic route of [ 7381-30-8 ]

[ 7381-30-8 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 7381-30-8 ]
  • 5c-acetyl-1,1-dimethoxy-2b,2c,5,5a,5b,5c-hexahydro-1H,2aH-cyclopenta[a]cyclopropa[cd]pentalen-2-one [ No CAS ]
  • 1,1-dimethoxy-5c-(2-methyl-[1,3]dioxolan-2-yl)-2b,2c,5,5a,5b,5c-hexahydro-1H,2aH-cyclopenta[a]cyclopropa[cd]pentalen-2-one [ No CAS ]
  • 2
  • [ 7381-30-8 ]
  • [ 175881-73-9 ]
  • [ 175881-81-9 ]
  • 4
  • [ 7381-30-8 ]
  • methyl 5-bromo-4-fluoro-2-formylbenzoate [ No CAS ]
  • methyl 5-bromo-2-(1,3-dioxolan-2-yl)-4-fluorobenzoate [ No CAS ]
  • 5
  • [ 7381-30-8 ]
  • 1-(5-(2-((4-(trifluoromethyl)phenyl)amino)phenyl)-1,3,4-oxadiazol-2-yl)ethan-1-one [ No CAS ]
  • 2-(5-(2-methyl-1,3-dioxolan-2-yl)-1,3,4-oxadiazol-2-yl)-N-(4-(trifluoromethyl)phenyl)aniline [ No CAS ]
YieldReaction ConditionsOperation in experiment
29.6% With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at -5 - 25℃; for 5h; To a solution of Compound 85 (50 mg, 0.14 mmol, 1 eq) and compound 79-4a (297.2 mg, 1.44 mmol, 10 eq) in DCM (1 mL) was added TMSOTf (6.4 mg, 28 umol, 5 uL, 0.2 eq) at - 5C. Then the mixture was warmed to 25C and stirred at 25C for 5 hr. The reaction mixture was quenched with TEA (5 drops), concentrated in vacuum. The residue was diluted with EA (20 mL), washed with H20 (5 mL) and brine (5 mL), dried over Na2S04, filtered and concentrated in vacuum. The crude product was purified by prep-TLC. LCMS, HPLC and 1HNMR confirmed that Compound 86 (17.4 mg, 42 umol, 29.6% yield) was obtained. LCMS (ESI): RT = 1.037 min, mass calcd. For C19H13F3N4O, 391.34 m/z found 392.0 [M+H] +. 1H NMR (400 MHz, CDCl3) d 9.62 - 9.37 (m, 1H), 7.90 (d, J= 8.0 Hz, 1H), 7.59 (br d , j= 8.3 Hz, 2H), 7.52 (d, J= 8.5 Hz, 1H), 7.44 - 7.33 (m, 3H), 6.98 (t, J= 7.6 Hz, 1H), 4.30 - 4.18 (m, 1H), 4.24 (br d, J= 5.3 Hz, 3H), 1.96 (s, 3H).
  • 8
  • [ 7381-30-8 ]
  • [ 1277177-84-0 ]
  • methyl 4-(2-(4-(prop-2-yn-1-yloxy)phenyl)-1,3-dioxolan-2-yl)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
75% With toluene-4-sulfonic acid; In ethylene glycol; toluene; for 4h;Inert atmosphere; Reflux; A mixtureof ketone 82 (100 mg, 0.34 mmol, 1 equiv), ethylene glycol (1.5 mL), [7381-30-8]1,2-bis(trimethylsilyloxy)ethane (2.52 g, 12.2 mmol, 36 equiv), p-toluenesulfonic acidmonohydrate (4.5 mg, 0.024 mmol, 0.1 equiv), and toluene (1.6 mL) was heated underreflux for 4 hours. The mixture was then cooled to room temperature and washed withsaturated aq. NaHCO3 solution. The organic layer was then separated and the aqueouslayer was extracted with hexanes:EtOAc (6:4). The combined organic layers were thendried (MgSO4), filtered, concentrated, and chromatographed (EtOAc:hexanes, 1:9) to give 87 mg of ketal 9 as a colorless oil (75%).
  • 9
  • [ 7381-30-8 ]
  • C14H19NO3 [ No CAS ]
  • C16H23NO4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
84% With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at 30℃; for 168h; Bts(trimethylsilyl)ethylene glycol (8.26 mL, 33,7 mmol, 7.00 equiv) and triroelhykily itiftoorome&anese fonate (1.74 mL, 9.63 mnaal, 2.00 equiv) were added in sequence to a solutio of the beta-cyam ketone 15 (1.20 g, 4,81 .mmol, 1 equiv) in dichioromethane. (60 ml) at 20 C, The resulting mixture was heated and stirred at 30 C. An additional portion of trimethylsilyl trifiuoromethanesulfonate (1.74 mL, 9.63 mmol, 2.00 equiv) was added every two days thereafter. After stirring at 30 C for 7 days total, the product mixture was cooled to 0 C for 20 min. The cooled product mixture was slowly diluted with saturated aqueous sodium bicarbonate solution (60 mL). The resulting 'mixture was diluted with water (60 mL) and then the organic layer was separated. The aqueous layer was extracted with dichioromethane (2 x 60 mL). The organic layers were combined and the combined organic layers were dried over magnesium sulfate. The dried solution was filtered and the filtrate was concentrated. The residue obtained was purified by flash-column chromatography (elating with 15% ethyl acetate-hexanes initially, linearly grading to 30% ethyl acetate -hexanes) to provide the eyano ketal 16 as a white solid (1 , 18 g, 84%). - 0.36 {20% ethyl acetate-hexanes; PAA stains brown). NMR (500 MHz. CDC ) S 4.03 - 3.96 Cm, IH), 3.94 - 3.85 m 2H), 3.84- 3.77 (m. IH), 3.69 (s, 3H), 3.08 {s, I H), 2.18 - 1.72 (m, 8H), 1.58 - .1.50 (m, IH), 1.32 (s, 3H), 1.13 (d, J- .9 Hz, 3H). NM (126 MHz, CDC) S 175.46, 124.14, 117.50, 64.38, 62.53, 53.35, 51.63, 46.46, 40.28, 36.18, 35.37, 33.79, 31.61, 28.07, 21.37, 6.17. HR S-ES1 (m/z): calculated for [CH N04Na3* 316,1525, found 316 J 530,
  • 10
  • [ 7381-30-8 ]
  • [ 3946-26-7 ]
  • (20S)-20-(ethylenedioxymethyl)-pregna-4,6-dien-3-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
55% With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at -78℃; for 2h;Inert atmosphere; To a solution of (20S)-20-formyl-pregna-4,6-dien-3-one (3.89 g, 12 mmol) in CH2CI2 (5 vol, 20 mL) under an argon atmosphere was added 1 ,2-bis (trimethylsilyloxy) ethane (2.94 mL, 12 mmol). The reaction mixture was cooled to -78 C and TMSOTf (108 JL, 0.6 mmol) was added. After 2 h the reaction mixture was diluted with CH2CI2 (100 mL) and washed with water (2 x 100 mL) and 5% aq. NaCI (100 mL). The organic phase was dried over Na2S04 and was concentrated under reduced pressure. Purification by column chromatography on silica gel gave the desired product (2.42 g, 55%) as a colourless crystalline solid. deltaEta (700 MHz, CDCb); 6.12 (2H, m), 5.67 (1 H, m), 4.86 (1 H, d, J2.0), 3.94 (2H, m), 3.86 (2H, m,), 2.56 (1 H, m), 2.43 (1 H, m), 2.19 (1 H, t, J 10.6), 2.05-1.95 (3H, m), 1.85 to 1.20 (12H, m), 1.11 (3H, s), 0.95 (3H, d, J = 6.7), 0.77 (3H, s). 5C (176 MHz, CDCb); 199.7, 163.9, 141.4, 127.9, 123.6, 105.6, 65.3, 65.1 , 52.9, 52.2, 50.6, 43.7, 39.3, 39.3, 37.8, 36.1 , 34.0, 33.9, 27.3, 23.9, 20.67, 16.3, 1 1.7, 1 1.6.
55% With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at -78℃; for 2h;Inert atmosphere; To a solution of (20S)-20-formyl-pregna-4,6-dien-3-one (3.89 g, 12 mmol) in 0H2012 (5 vol, 20 mL) under an argon atmosphere was added 1 ,2-bis (trimethylsilyloxy) ethane (2.94 mL,12 mmol). The reaction mixture was cooled to -78 00 and TMSOTf (108 pL, 0.6 mmol) was added. After 2 h the reaction mixture was diluted with 0H2012 (100 mL) and washed with water (2 >< 100 mL) and 5% aq. NaOl (100 mL). The organic phase was dried over Na2SO4 and was concentrated under reduced pressure. Purification by column chromatography on silica gel gave the desired product (2.42 g, 55%) as a colourlesscrystalline solid. OH (700 MHz, 0D013); 6.12 (2H, m), 5.67 (1H, m), 4.86 (1H, d, J2.0), 3.94(2H, m), 3.86 (2H, m,), 2.56 (1H, m), 2.43 (1H, m), 2.19 (1H, t, J 10.6), 2.05-1.95 (3H, m),1.85 to 1.20 (12H, m), 1.11 (3H, 5), 0.95 (3H, d, J6.7), 0.77 (3H, 5). 00(176 MHz, 0D013);199.7, 163.9, 141.4, 127.9, 123.6, 105.6, 65.3, 65.1, 52.9, 52.2, 50.6, 43.7, 39.3, 39.3,37.8, 36.1, 34.0, 33.9, 27.3, 23.9, 20.67, 16.3, 11.7, 11.6.
55% With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at -78℃; for 2h;Inert atmosphere; To a solution of (20S)-20-formyl-pregna-4,6-dien-3-one (3.89 g, 12 mmol) in CH2CI2 (5 vol, 20 mL) under an argon atmosphere was added 1 ,2-bis (trimethylsilyloxy) ethane (2.94 mL,12 mmol). The reaction mixture was cooled to -78 00 and TMSOTf (108 pL, 0.6 mmol) was added. After 2 h the reaction mixture was diluted with CH2CI2 (100 mL) and washed with water (2 >< 100 mL) and 5% aq. NaCI (100 mL). The organic phase was dried over Na2SO4 and was concentrated under reduced pressure. Purification by column chromatography on silica gel gave the desired product (2.42 g, 55%) as a colourlesscrystalline solid. OH (700 MHz, CDCI3); 6.12 (2H, m), 5.67 (1H, m), 4.86 (1H, d, J2.0), 3.94(2H, m), 3.86 (2H, m,), 2.56 (1H, m), 2.43 (1H, m), 2.19 (1H, t, J 10.6), 2.05-1.95 (3H, m),1.85 to 1.20 (11H, m), 1.11 (3H, 5), 0.95 (3H, d, J6.7), 0.77 (3H, 5). 00(176 MHz, CDCI3);199.7, 163.9, 141.4, 127.9, 123.6, 105.6, 65.3, 65.1, 52.9, 52.2, 50.6, 43.7, 39.3, 39.3,37.8, 36.1, 34.0, 33.9, 27.3, 23.9, 20.67, 16.3, 11.7, 11.6.
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