[ CAS No. 126-30-7 ] {[proInfo.proName]}

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Quality Control of [ 126-30-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 126-30-7 ]

SDS Specification

Alternatived Products of [ 126-30-7 ]

Product Details of [ 126-30-7 ]

CAS No. :	126-30-7	MDL No. :	MFCD00004685
Formula :	C₅H₁₂O₂	Boiling Point :	-
Linear Structure Formula :	(HOCH₂CH₃)₂C	InChI Key :	SLCVBVWXLSEKPL-UHFFFAOYSA-N
M.W :	104.15	Pubchem ID :	31344
Synonyms :

Calculated chemistry of [ 126-30-7 ] Expand+

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	28.21
TPSA :	40.46 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.9 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.43
Log Po/w (XLOGP3) :	0.05
Log Po/w (WLOGP) :	0.0
Log Po/w (MLOGP) :	0.23
Log Po/w (SILICOS-IT) :	0.04
Consensus Log Po/w :	0.35

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.39
Solubility :	42.9 mg/ml ; 0.412 mol/l
Class :	Very soluble
Log S (Ali) :	-0.45
Solubility :	36.7 mg/ml ; 0.353 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.29
Solubility :	53.4 mg/ml ; 0.513 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.06

Safety of [ 126-30-7 ]

Signal Word:	Danger	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338+P310	UN#:	N/A
Hazard Statements:	H318	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 126-30-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 126-30-7 ]

[ 126-30-7 ] Synthesis Path-Downstream 1~23

1
[ 4151-80-8 ]
[ 126-30-7 ]
[ 5487-93-4 ]

Reference： [1]Journal of the Chemical Society C: Organic,1966,p. 566 - 571
[2]Journal of the Chemical Society C: Organic,1970,p. 488 - 493

2
[ 51716-63-3 ]
[ 126-30-7 ]
[ 112755-94-9 ]

Yield	Reaction Conditions	Operation in experiment
66%	With pyridinium p-toluenesulfonate; In toluene;Dean-Stark; Reflux; Inert atmosphere;	To a solution of <strong>[51716-63-3](3as,6as)-tetrahydropentalene-2,5(1H,3H)-dione</strong> (15 g, 108.57 mmol) in toluene (150 mL) was added 2, 2-dimethylpropane-1,3-diol (11.31 g, 108.57 mmol), followed by the addition of PPTS (250 mg) at rt. The reaction mixture was refluxed overnight with a Dean-Stark trap under N 2 atmosphere. After cooled to rt, the reaction mixture was concentrated under vacuum to remove the volatile. The residue was purified by silica gel flash column chromatography (PE: EtOAc = 20: 1) to give the title compound (16 g, yield: 66%) as a white solid.

Reference： [1]Patent: WO2019/76358,2019,A1 .Location in patent: Page/Page column 70
[2]Tetrahedron Letters,1985,vol. 26,p. 2735 - 2738

3
[ 51716-63-3 ]
[ 126-30-7 ]
[ 112755-94-9 ]
[ 92007-38-0 ]

Reference： [1]Canadian Journal of Chemistry,1989,vol. 67,p. 160 - 164
[2]Canadian Journal of Chemistry,1989,vol. 67,p. 160 - 164
[3]Organic Letters,2003,vol. 5,p. 3983 - 3986
[4]Synthesis,2008,p. 1619 - 1627
[5]Tetrahedron Letters,1984,vol. 25,p. 2031 - 2034

4
[ 78775-11-8 ]
[ 126-30-7 ]
[ 146308-28-3 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1992,p. 3439 - 3450

5
[ 87199-17-5 ]
[ 126-30-7 ]
[ 128376-65-8 ]

Yield	Reaction Conditions	Operation in experiment
95%	In tetrahydrofuran; at 20℃; for 2h;Product distribution / selectivity;	To a solution of 4-formylphenylboronic acid (4.11 g) in anhydrous tetrahydrofuran (THF) (40 ml_) was added 2,2-dimethyl-1 ,3-propanediol (3.14 g) and the mixture was stirred at room temperature for 2 hours. The solvent was evaporated to dryness. The residue was dissolved in dichloromethane (120 ml_), washed with water (80 ml_ x 3), dried and evaporated under vacuum to obtain 4-(5,5-dimethyl-[1 ,3,2]dioxaborinan-2-yl)-benzaldehyde (5.66 g, 95% yield).
	In toluene; for 2h;Heating / reflux;Product distribution / selectivity;	To a mixture of 4-formylphenylboronic acid (50 g) in toluene (250 ml_) was added 2,2-dimethyl-1 ,3-propanediol (34.39 g) and the dispersion was heated at reflux for 2 h. The water while formed was azeotropically separated and the residue (330 ml_) was used directly in the next step. 1H-NMR (400 MHz,CDCI3): delta 1.04 (s, 6 H, 2 CH3), 3.79 (s, 4 H, 2 CH2), 7.84 (d, J = 6.4 Hz, 2 H, H-Ar), 7.96 (d, J = 8 Hz, 2 H, H-Ar), 10.04 (s, 1 H, CHO) ppm.
	In toluene; for 2h;Heating / reflux;	Example 1 : Preparation of 4-(5,5-dimethyl-H ,3,21dioxaborinan-2-yl)- benzaldehvde;To a mixture of 4-formylphenylboronic acid (50 g) in toluene (250 mL) was added 2,2-dimethyl-1 ,3-propanediol (34.39 g) and the dispersion was heated at reflux for 2 h. The water while formed was azeotropically separated and the residue (330 mL) was used directly in the next step.1H-NMR (400 MHz, CDCI3): delta 1.04 (s, 6 H, 2 CH3), 3.79 (s, 4 H, 2 CH2), 7.84 (d, J = 6.4 Hz, 2 H,H-Ar), 7.96 (d, J = 8 Hz, 2 H, H-Ar), 10.04 (s, 1 H, CHO) ppm.

Reference： [1]Inorganic Chemistry,2001,vol. 40,p. 5507 - 5517
[2]Synthesis,1999,p. 2041 - 2044
[3]Tetrahedron,2010,vol. 66,p. 583 - 590
[4]Patent: WO2006/67216,2006,A2 .Location in patent: Page/Page column 13
[5]Advanced Synthesis and Catalysis,2014,vol. 356,p. 1527 - 1532
[6]Acta Crystallographica, Section C: Crystal Structure Communications,2008,vol. 64,p. o177-o179
[7]Acta Crystallographica, Section C: Crystal Structure Communications,2008,vol. 64,p. o177-o179
[8]Patent: WO2006/67216,2006,A2 .Location in patent: Page/Page column 13
[9]Angewandte Chemie - International Edition,2008,vol. 47,p. 5792 - 5795
[10]Patent: WO2007/71750,2007,A1 .Location in patent: Page/Page column 17
[11]Angewandte Chemie - International Edition,2012,vol. 51,p. 3642 - 3645

6
[ 135159-25-0 ]
[ 126-30-7 ]
5,5-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3,2-dioxaborinane [ No CAS ]

Reference： [1]Tetrahedron,2000,vol. 56,p. 9655 - 9662

7
[ 100342-30-1 ]
[ 126-30-7 ]
5-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-thiophene-2-sulfonic acid <i>tert</i>-butylamide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2005,vol. 13,p. 2305 - 2312

8
[ 126-30-7 ]
[ 5722-11-2 ]

Reference： [1]Journal of Organic Chemistry,1980,vol. 45,p. 2489 - 2498
[2]Journal of the American Chemical Society,1977,vol. 99,p. 505 - 509

9
[ 79-37-8 ]
[ 75885-59-5 ]
[ 5722-11-2 ]
[ 126-30-7 ]
[ 98-59-9 ]
bis-[4-(2',2'-dimethyl-cyclopropyl carboxy-amido phenol)]-methane [ No CAS ]
[ 22308-12-9 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium cyanide; sodium hydroxide; In pyridine; methanol; dichloromethane; water; ethylene glycol; N,N-dimethyl-formamide;	First, 2,2-dimethyl-1,3-propane-ditosylate was synthesised by adding p-toluenesulfonyl chloride (1000 g, 5.25 mol) at 0 C. to a solution of neopentyl glycol (218 g, 2.1 mol) in 500 ml pyridine with stirring. The mixture was stirred for 1.5 hr and then poured into 1500 ml water in a slow stream while stirring vigorously. It was stirred for an additional 1.5 hr and then filtered. The crude solid was recrystallized from acetone (2.0 L), filtered, washed with water (20.5 L), hexane (10.5 L) and dried. Snow white solid (814 g) m.p. 120-121 C. 2,2-Dimethyl-cyclopropyl nitrile was synthesised by stirring the 2,2-dimethyl-1,3-propane-ditosylate prepared above (412 g, 1.0 mol) with KCN (195.4 g, 3.0 mol) in 2.0 L of ethylene glycol with heating (E. R. Nelson et al., JACS, 1957, p. 3467). At around 80 C., a clear solution was formed. The desired product began to distill out at about 175 C. The distillation was continued until the temperature reached 200 C. The distillate (300 ml) formed two layers. The upper layer was separated and the lower layer was extracted with hexane (3200 ml). The combined extracts were dried over Na2CO3, concentrated and re-distilled at normal pressure. The yield was 41.7 g (43.8%), b.p. 151-152 C. 2,2-Dimethyl-cyclopropyl carboxylic acid was prepared by mixing 2,2-dimethyl-cyclopropyl nitrile (41.7 g, 0.43 mol) with sodium hydroxide (44 g, 1.05 mol) in water (100 ml) and methanol (50 ml). The mixture was heated to reflux for 48 hr until a clear solution formed. Methanol was distilled off and the aqueous portion was extracted with ether (50 ml) and the aqueous layer was diluted with water (500 ml) and carefully acidified with conc. HCl. The acidified mixture was extracted with ether (5300 ml), CH2Cl2 (5*300 ml). The extract was evaporated to yield a liquid which was distilled to give 44.9 g (91.6%) of oil, b.p. 55-57 C. at 0.3 mm. 2,2-Dimethyl-cyclopropyl carboxylic acid chloride was prepared by mixing 2,2-dimethyl-cyclopropyl carboxylic acid (20.0 g, 0.18 mol) in CH2Cl2 (100 ml) with 45.7 g (0.36 mol, 31.4 ml) of oxalyl chloride. The mixture was stirred for 1.0 hr and then a small amount of DMF was added to ensure the completion of the reaction. The mixture was then distilled to give 17.8 g (75%) of the desired product, b.p. 84-87 C. Compound III.1, Bis-[4-(2',2'-dimethyl-cyclopropyl carboxy-amido phenol)]-methane, was prepared by combining a solution of 4,4'-methylenedianiline (0.67 g, 3.4 mol) and diisopropyl-ethyl-amine (1.94 g, 2.61 ml, 0.019 mol) in THF (10 ml). The mixture was treated slowly with a solution of 2,2-dimethyl-cyclopropyl carboxylic acid chloride (1.0 g, 7.5 mmol) in THF (10 ml). The reaction mixture was stirred for 1.0 hr and then decomposed with water (250 ml). The precipitated solid was filtered and washed with 10% HCl (10 ml), 10% sodium hydroxide (10 ml), water and ether. The yield was 1.2 g, m.p. 207-210 C.

Reference： [1]Patent: US6271390,2001,B1

10
[ 121-43-7 ]
[ 42872-74-2 ]
[ 126-30-7 ]
[ 457866-16-9 ]

Reference： [1]Journal of the American Chemical Society,2002,vol. 124,p. 9014 - 9015

11
[ 51792-34-8 ]
[ 126-30-7 ]
[ 255901-50-9 ]

Yield	Reaction Conditions	Operation in experiment
80%	With toluene-4-sulfonic acid; In toluene; at 110℃; for 24h;	As shown in Scheme 2 below,To 100 mL of toluene in which 5.28 g (27.7 mmol) of p-toluenesulfonic acid (p-TsOH or p-TSA) was dissolved,20.0 g (138.7 mmol) of <strong>[51792-34-8]3,4-dimethoxy thiophene</strong>, compound (1) and 57.8 g (554.8 mmol) of 2,2-dimethyl-1,3-propanediol, compound (2) The reaction was carried out with stirring at 110 DEG C for 24 hours. after completion of the reaction, To the reaction was added a mixed solvent of water and ethyl acetate (EtOAc), the product was extracted into an organic layer, washed with brine,After removing water using anhydrous Na2SO4, filtered and concentrated. The product was purified by column chromatography on SiO2 (flash column chromatography,The eluate was separated into hexane: ethyl acetate (EtOAc) = 10: 1 mixture,3,4- (2,2-dimethylpropylene dioxy) thiophene(3,4- (2,2-Dimethylpropylenedioxy) thiophene,17.0 to 20.4 g (yield: 65 to 80percent) of Compound (3)) was obtained.1H-NMR data of the obtained compound are as follows: 1HNMR(CDCl3, Varian 400 MHz): delta 1.03 (6H, s), 3.72 (4H, s), 6.47 (2H, s).

Reference： [1]Patent: KR2015/74606,2015,A .Location in patent: Paragraph 0036-0039
[2]Organic Letters,2010,vol. 12,p. 1204 - 1207

12
[ 126-30-7 ]
[ 156897-06-2 ]

Reference： [1]European Journal of Medicinal Chemistry,2011,vol. 46,p. 907 - 913

13
[ 126-30-7 ]
[ 204905-77-1 ]
[ 1286685-26-4 ]

Reference： [1]Advanced Functional Materials,2012,vol. 22,p. 1489 - 1501
[2]Advanced Functional Materials,2011,vol. 21,p. 634 - 643

14
[ 126-30-7 ]
[ 128376-65-8 ]

Reference： [1]Tetrahedron Letters,2012,vol. 53,p. 6230 - 6235,6

15
[ 51716-63-3 ]
[ 126-30-7 ]
(3R,6S/3S,6R)-5,5-dimethylhydro-1'H-spiro[1,3-dioxane-2,2'-pentalen]-5'(3'H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
3.7 g	With toluene-4-sulfonic acid; In toluene; for 18h;Reflux;	[0398] 5 g of hydropentalene-2,5-dione (36.19 mmol, 1 eq.), 377 g of 2,2-dimethyl-1,3-propanediol (36.19 mmol, 1 eq.) and 0.069 g of para-toluenesulfonic acid (0.36 mmol, 0.01 eq.) in 50 mL of toluene are refluxed for 18 h. The medium is diluted in ethyl acetate and washed successively with aqueous 1N sodium hydroxide solution, water and brine. The organic phase is dried over sodium sulfate, filtered and evaporated. The residue is chromatographed on silica gel, eluting with a gradient of ethyl acetate in heptane ranging from 30% to 33%. 3.7 g of (3R,6S/3S,6R)-5,5-dimethylhydro-1?H-spiro[1,3-dioxane-2,2?-pentalen]-5?(3?H)-one are obtained.

Reference： [1]Patent: US2012/40984,2012,A1 .Location in patent: Paragraph 0398

16
[ 489446-42-6 ]
[ 126-30-7 ]
[ 1426442-14-9 ]

Reference： [1]Journal of the American Chemical Society,2013,vol. 135,p. 3303 - 3306

17
[ 1219741-54-4 ]
[ 126-30-7 ]
[ 1467061-56-8 ]

Yield	Reaction Conditions	Operation in experiment
99%	In 1,4-dioxane; at 210.0℃; for 1.0h;Microwave irradiation;	A mixture of 2,2-dimethylpropane-1,3-diol (4.0 g, 38 mmol) and 4'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)biphenyl-2-ol (1.0 g, 3.4 mmol) in 1,4-dioxane (2 mL) was subjected to microwave irradiation at 210 C. for 1 hour. The cooled reaction mixture was partitioned between water (50 mL) and 1:1 EtOAc/heptane (25 mL:25 mL). The organic layer was washed with water (30 mL) and brine (30 mL), dried over Na2SO4 and concentrated in vacuo to give the title compound (0.95 g, 99% yield). GC/MS, M=282 at 5.31 min. 1H NMR (500 MHz, CDCl3) delta 7.94 (d, J=7.81 Hz, 2H), 7.48 (d, J=7.81 Hz, 2H), 7.31-7.26 (m, 2H), 7.03-6.98 (m, 2H), 3.82 (s, 4H), 1.08-1.04 (m, 6H).

Reference： [1]Patent: US2013/267493,2013,A1 .Location in patent: Paragraph 1148

18
[ 80041-89-0 ]
[ 126-30-7 ]
[ 61727-48-8 ]

Reference： [1]Journal of the American Chemical Society,2013,vol. 135,p. 16054 - 16057

19
[ 103-82-2 ]
[ 599-67-7 ]
[ 60-12-8 ]
[ 555-16-8 ]
[ 123-11-5 ]
[ 104-94-9 ]
[ 126-30-7 ]
[ 530-48-3 ]
[ 5455-87-8 ]
[ 6290-08-0 ]
[ 102-20-5 ]
[ 1749-08-2 ]

Reference： [1]Chemical Communications,2014,vol. 50,p. 9401 - 9404

20
[ 38170-02-4 ]
[ 126-30-7 ]
2-(5,5-dimethyl-1,3-dioxan-2-yl)-5-iodophenol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
96%	With tetra-N-butylammonium tribromide; orthoformic acid triethyl ester; at 20℃; for 16h;Inert atmosphere;	The following protocol was derived from that for a related compound described in ref.8. Salicylic aldehyde 3(1.50 g, 6.05 mmol, 1 equiv), 2,2-dimethyl-1,3-propanediol (2.52 g, 24.20 mmol, 4 equiv), tetrabutylammonium tribromide (0.29 g, 0.61 mmol, 0.1 equiv), and triethylorthoformate (1.10 mL, 0,99 g, 6.66 mmol, 1.1 equiv) were added to a flask. The reaction mixture was stirred at r.t. for 16 h under argon. TLC (PE-EtOAc = 9:1, v/v) showedcomplete conversion of the starting material. The reaction mixture was diluted with EtOAc (50 mL) and washed with sat. NaHCO3solution (50 mL). The organic phase was washed twice with H2O and dried over Na2SO4. Solvents were evaporated and the yellow, oily crude was purified by column chromatography on silica (140 g), eluting with a step gradient of EtOAc (7-14%) in PE to give 1.94 g of 4b(5.80 mmol, 96%) as a colorless solid.TLC (PE-EtOAc = 9:1, v/v). Rf= 0.42. HRMS (ESI-TOF): m/zcalcd for C12H15IO3[M + Na]+: 356.996; found: 356.994. 1H NMR (300 MHz, CDCl3): delta= 0.82 (s, 3 H), 1.27 (s, 3 H), 3.66 (d, J= 11.1 Hz, 2 H), 3.81 (d, J= 11.1 Hz, 2 H), 5.49 (s, 1 H), 6.89 (d, J= 8.2 Hz, 1 H), 7.20 (dd, J= 8.2, 1.6 Hz, 1 H), 7.28 (d, J= 1.6 Hz, 1 H), 8.08 (s, 1 H) ppm. 13C NMR (75 MHz, CDCl3): delta= 21.9, 23.1, 30.5, 77.7, 95.5, 102.7, 121.7, 126.5, 128.9, 129.4, 156.0 ppm. IR: nu= 3278, 2958, 2869, 1605, 1558, 1478, 1386, 1214, 1093, 1016, 705 cm-1

Reference： [1]Synlett,2014,vol. 25,p. 1438 - 1442

21
[ 170230-88-3 ]
(E)-4-((4-(dimethylamino)phenyl)diazenyl)-N-(3-hydroxypropyl)benzenesulfonamide [ No CAS ]
[ 126-30-7 ]
(E)-3-((4-((4-(dimethylamino)phenyl)diazenyl)phenyl)sulfonamido)propyl 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-methylbenzoate [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 3909 - 3913
Angew. Chem.,2016,p. 3977 - 3981,5

22
[ 126-30-7 ]
[ 33332-28-4 ]
3-((6-aminopyrazin-2-yl)oxy)-2,2-dimethylpropan-1-ol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
12.84%		To a stirred suspension of NaH (2.316 g, 57.9 mmol) in 1,4-Dioxane (20 mL) under nitrogen at 0C was added a solution of 2,2-dimethylpropane-l,3-diol (4.02 g, 38.6 mmol) in 1,4-Dioxane (20 mL) dropwise during 10 min at 0C. After 10 min added a solution of 6-chloropyrazin-2-amine (5 g, 38.6 mmol) in 1,4-Dioxane (20 mL) was added dropwise during 10 min at 0C.The reaction mixture was heated at 120 C for 48 hr. TLC indicates small amount starting material along with product. Reaction mixture was poured into ice cold water (60 mL), aqueous layer was extracted with EtOAc (2 x 100 mL). The organic layer was washed with brine (50 mL). The organic layer was dried over Na2S04, filtered and concentrated under reduced pressure to obtain crude product. Crude product was purified by column chromatography using 100-200 silica gel as a eluent (0-50% EtOAc in petether) to obtain 3-((6-aminopyrazin-2-yl)oxy)-2,2-dimethylpropan-l-ol (1 g, 4.95 mmol, 12.84 % yield), LCMS (m/z): 198.00 [M+H]+.

Reference： [1]Patent: WO2016/79709,2016,A1 .Location in patent: Page/Page column 254

23
[ 221037-98-5 ]
[ 126-30-7 ]
C₁₁H₁₄BIO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In diethyl ether; at 20℃;Inert atmosphere; Molecular sieve;	General procedure: To a Et2O solution of anorganoboronic acid (1.00 equiv) and 2,2-dimethylpropane-1,3-diol (neopentyl glycol)(1.02 equiv), 4A molecular sieves was added and the reaction mixture was stirred atroom temperature. After the reaction finished, the reaction mixture was filtered andconcentrated in vacuo. The residue was subjected to flash column chromatography(eluent: petroleum ether/ethyl acetate) or recrystallization to obtain the desired product

Reference： [1]Chem,2019,vol. 5,p. 2718 - 2730

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P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 126-30-7 ] {[proInfo.proName]}

Quality Control of [ 126-30-7 ]

Related Doc. of [ 126-30-7 ]

Product Details of [ 126-30-7 ]

Calculated chemistry of [ 126-30-7 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 126-30-7 ]

Application In Synthesis of [ 126-30-7 ]

[ 126-30-7 ] Synthesis Path-Downstream 1~23

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry