Structure of 108-36-1
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CAS No. : | 108-36-1 |
Formula : | C6H4Br2 |
M.W : | 235.90 |
SMILES Code : | BrC1=CC(Br)=CC=C1 |
MDL No. : | MFCD00000078 |
InChI Key : | JSRLURSZEMLAFO-UHFFFAOYSA-N |
Pubchem ID : | 7927 |
GHS Pictogram: |
![]() ![]() |
Signal Word: | Danger |
Hazard Statements: | H315-H318-H335 |
Precautionary Statements: | P280-P302+P352-P305+P351+P338+P310 |
Class: | 9 |
UN#: | 3082 |
Packing Group: | Ⅲ |
Num. heavy atoms | 8 |
Num. arom. heavy atoms | 6 |
Fraction Csp3 | 0.0 |
Num. rotatable bonds | 0 |
Num. H-bond acceptors | 0.0 |
Num. H-bond donors | 0.0 |
Molar Refractivity | 41.84 |
TPSA ? Topological Polar Surface Area: Calculated from |
0.0 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
2.35 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
3.75 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
3.21 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
3.79 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
3.25 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
3.27 |
Log S (ESOL):? ESOL: Topological method implemented from |
-4.22 |
Solubility | 0.0142 mg/ml ; 0.0000602 mol/l |
Class? Solubility class: Log S scale |
Moderately soluble |
Log S (Ali)? Ali: Topological method implemented from |
-3.44 |
Solubility | 0.0851 mg/ml ; 0.000361 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-4.11 |
Solubility | 0.0184 mg/ml ; 0.000078 mol/l |
Class? Solubility class: Log S scale |
Moderately soluble |
GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg |
Low |
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg |
Yes |
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) |
No |
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) |
Yes |
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) |
No |
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) |
Yes |
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) |
No |
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) |
No |
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from |
-5.08 cm/s |
Lipinski? Lipinski (Pfizer) filter: implemented from |
0.0 |
Ghose? Ghose filter: implemented from |
None |
Veber? Veber (GSK) filter: implemented from |
0.0 |
Egan? Egan (Pharmacia) filter: implemented from |
0.0 |
Muegge? Muegge (Bayer) filter: implemented from |
1.0 |
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat |
0.55 |
PAINS? Pan Assay Interference Structures: implemented from |
0.0 alert |
Brenk? Structural Alert: implemented from |
0.0 alert: heavy_metal |
Leadlikeness? Leadlikeness: implemented from |
No; 1 violation:MW<2.0 |
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) |
1.5 |
* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
93% | at 100℃; for 1.5 h; Inert atmosphere | Argon under the protection,A solution of 1,3-dibromobenzene (4.1 g, 17.5 mmol)And AlCl3 (5.6 g, 42 mmol) were placed in a 50 ml two-necked flask,At room temperature,Acetyl chloride (2.0 ml, 28 mmol) was slowly added dropwise,Dripping finished system slowly heated to 100 , a large number of HCl gas release,High temperature reaction for 1.5 hours.System down to room temperature,Slowly pour into crushed ice and concentrated hydrochloric acid.The organic phase was washed with water, washed with Na2CO3 solution and brine, dried over anhydrous MgSO4, and the solvent was evaporated under reduced pressure. The compound 16a (4.5 g, 93percent yield) was isolated by column chromatography. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
99% | With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 80℃; for 4.5 h; Sealed tube | Commercial 1,3-dibromobenzene 1 (200.0mg, 0.85mmol), 12 pyrrolidine (60.5mg, 0.85mmol) and 157.0mg of a reagent constituted by 13 tris(dibenzylideneacetone)dipalladium(0), 14 BINAP and 15 t-BuONa (mol ratio: 0.05:0.15:2) were suspended in 16 toluene (2.5mL) and allowed to react in a sealed tube, at 80°C for 4.5h, under magnetic stirring. After cooling to room temperature, the mixture was filtered under reduced pressure and the resulting solution evaporated in vacuo. The residue was dissolved in CHCl3 and washed with a 10percent aqueous solution of 60 NaOH. The organic phase was dried over anhydrous Na2SO4, filtered, evaporated in vacuo, and purified by flash column chromatography on silica gel (petroleum ether), obtaining the intermediate 2 as a transparent oil (190.5mg, 0.84mmol). Yield: 99percent. 1H NMR (CDCl3, 400MHz) δ (ppm): 7.05 (t, 1H, J=8.0Hz), 6.76–6.74 (m, 1H), 6.68 (m, 1H), 6.46 (m, 1H), 3.27–3.24 (m, 4H), 2.05–1.99 (m, 4H). |
54% | With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene for 4 h; Reflux | 1,3-Dibromobenzene (1.0 g, 4.24 mmol), pyrrolidine (0.43 mL, 5.0 mmol), sodium tert-butoxide (1.14 g, 11.87mmol) and BINAP (0.2 g, 0.32 mmol) were dissolved in 17 mL of toluene. Pd2(dba)3 (0.097 g, 0.1 mmol) was addedthereto, and the mixture was stirred 4 hours under reflux. Solids were filtered through Celite and purified by columnchromatography to obtain the title compound (0.52 g, 54percent).1H-NMR (CDCl3) δ 7.05 (1H, t), 6.75 (1H, d), 6.67 (1H, m), 6.45 (1H, m), 3.26 (4H, m), 2.00 (4H, m) |
45% | With caesium carbonate In toluene at 120℃; | Synthesis of 1-(3-bromophenyl)pyrrolidine Into a 500 mL 3-necked round-bottom flask purged and maintained with an inert atmosphere of nitrogen, was placed a solution of 1,3-dibromobenzene (20 g, 84.78 mmol, 1.00 equiv) in toluene (300 mL). To this was added pyrrolidine (6.03 g, 84.80 mmol, 1.00 equiv). Addition of Pd(OAc)2 (190 mg, 0.85 mmol, 0.01 equiv) was next. This was followed by the addition of BINAP (760 mg, 2.53 mmol, 0.03 equiv). To the mixture was added Cs2CO3 (69.1 g, 211.96 mmol, 2.50 equiv). The resulting solution was allowed to react, with stirring, overnight while the temperature was maintained at 120° C. in a bath of oil. The reaction progress was monitored by TLC (EtOAc/PE=1:5). A filtration was performed. The filtrate was concentrated by evaporation under vacuum using a rotary evaporator. The residue was purified by eluding through a column with a PE solvent system. This resulted in 8.51 g (45percent) of 1-(3-bromophenyl)pyrrolidine as a light yellow liquid. LC-MS (ES, m/z): [M+H]+ calcd for C10H13BrN 226, found 226 |
45% | With caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 120℃; | Synthesis of 1-3-bromophenyl)pyrrolidine Into a 500 mL 3-necked round-bottom flask purged and maintained with an inert atmosphere of nitrogen, was placed a solution of 1,3-dibromobenzene (20 g, 84.78 mmol, 1.00 equiv) in toluene (300 mL). To this was added pyrrolidine (6.03 g, 84.80 mmol, 1.00 equiv). Addition of Pd(OAc)2 (190 mg, 0.85 mmol, 0.01 equiv) was next. This was followed by the addition of BINAP (760 mg, 2.53 mmol, 0.03 equiv). To the mixture was added Cs2CO3 (69.1 g, 211.96 mmol, 2.50 equiv). The resulting solution was allowed to react, with stirring, overnight while the temperature was maintained at 120° C. in a bath of oil. The reaction progress was monitored by TLC (EtOAc/PE=1:5). A filtration was performed. The filtrate was concentrated by evaporation under vacuum using a rotary evaporator. The residue was purified by eluding through a column with a PE solvent system. This resulted in 8.51 g (45percent) of 1-(3-bromophenyl)pyrrolidine as a light yellow liquid. LC-MS (ES, m/z): [M+H]+ calcd for C10H13BrN 226, found 226 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
47% | With potassium carbonate;tetrakis(triphenylphosphine) palladium(0); In tetrahydrofuran; water; for 24h;Heating / reflux; | Example 13 : Preparation of compound 30; [196][197] 13-A. Preparation of compound 13a[198] Under N atmosphere, 1,3-dibromophenyl (10 g, 42.2 mmol), 2-naphthyl boronic acid (5.16 g, 42.2 mmol), and Pd(PPh ) (2.4 g, 2.1 mmol) were added to a 2 M aqueous solution of potassium carbonate (50 mL) and THF (300 mL). The mixture was refluxed under stirring for about 24 hours. After completing the reaction, the mixture was cooled to normal temperature. The organic layer was separated from the reaction mixture, dried over magnesium sulfate, and distilled under reduced pressure. The resultant was purified by column chromatography to prepare a compound 13a (4.6 g, 47%). MS [M] = 233 |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium acetate;tetrakis(triphenylphosphine) palladium(0); In water; toluene;Inert atmosphere; Reflux; | Step 3. 1,3-Dibromobenzene (16 g, 64.9 mmol), <strong>[870119-58-7]9-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-carbazole</strong> b(6.0 g, 11.6 mmol), potassium acetate (saturated solution of 6.6 g in water) and tetrakis(triphenylphosphine)palladium (0) (380 mg) are heated to reflux in 150 mL of toluene overnight under nitrogen atmosphere. After cooling down, evaporation and column chromatography 9-(3'-bromo-[1,1'-biphenyl]-3-yl)-9H-carbazole (5.8 g) is obtained. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
30% | With sodium t-butanolate;tri-tert-butyl phosphine; palladium diacetate; In toluene; at 120℃; for 24h; | Compound 6-2 (15g, 53mmol), 1,3-dibromobenzene (32mL, 265mmol), Pd(OAc)2 (1.2g, 5mmol), P(t-Bu)3 (30mL, 64mmol), NaOt-Bu (25g, 265mmol) and toluene 300mL were mixed and stirred at 120C for 24 hours. After termination of the reaction, the mixture was cooled to room temperature and extracted with EA 1.5L, and the obtained organic layer was washed with distilled water 400mL. Subsequently, the solvent was removed under reduced pressure and the obtained solid was washed with hexane, filtered and dried. Silcia gel column chromatography and recrystallization were performed, yielding Compound 6-3 (7g, 30%). |
With tris-(dibenzylideneacetone)dipalladium(0); potassium tert-butylate; In water; toluene; at 110℃; for 24h;Inert atmosphere; | In a 500 mL three-necked flask, 0.03 mol was added under nitrogen protection.Raw material B-4,0.03molM-dibromobenzene,250 mL of toluene was stirred and mixed, and then 0.09 mol of potassium t-butoxide was added.0.0015 mol Pd2(dba)3, heated to 110 C, refluxing for 24 hours;Naturally cooled to room temperature, filtered, and the filtrate was subjected to vacuum distillation (-0.09 MPa, 85 C).Passing through a neutral silica gel column to obtain intermediate C-2; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
67.3% | With sodium t-butanolate;tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene; at 80℃; for 13h;Inert atmosphere; | Example 42Synthesis of 3-{3-[4-(1-Aminocyclobutyl)phenyl]-5-[3-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl}pyridin-2-amine trihydrochloride Step 13-(3-Bromophenyl)-8-oxa-3-azabicyclo[3.2.1]octaneA mixture of 1,3-dibromobenzene (242 μL, 2.00 mmol), 8-oxa-3-azabicyclo[3.2.1]octane (226 mg, 2.00 mmol), Pd2(dba)3 (45.8 mg, 0.0500 mmol), rac-BINAP (96.3 mg, 0.150 mmol) and NaOtBu (231 mg, 2.40 mmol) in toluene was heated at 80 C. for 13 hours under nitrogen. After cooling to room temperature, the mixture was diluted with DCM and filtered through a Celite pad. The combined filtrate and washings were concentrated. The residue was purified by silica gel column chromatography (EtOAc/hexane=9:1) to afford desired product (361 mg, 67.3%) as colorless oil.400 MHz 1H-NMR (CDCl3) δ: 7.09 (t, J=8.2 Hz, 1H), 6.95-6.90 (m, 2H), 6.74-6.68 (m, 1H), 4.53-4.43 (m, 2H), 3.31-3.26 (m, 2H), 3.01 (dd, J=11.7 Hz and 2.5 Hz, 2H), 2.03-1.86 (m, 4H); LCMS [M+H]: 268. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
46% | With tris-(dibenzylideneacetone)dipalladium(0); johnphos; sodium t-butanolate; In toluene; for 1h;Inert atmosphere; | General procedure: A round-bottomed flask was charged with Pd2(dba)3 (5 mol percent ), ligand (10 molpercent), aryl halide (1mmol), appropriate isoquinolinamine (1 mmol), base (1.5 mmol) and dry solvent (5 mL). Theflask was flushed with argon for 5 min. The mixture was heated at reflux under magnetic stirring.After cooling down to room temperature, the reaction mixture was concentrated and the residuewas purified by flash column chromatography on silica gel. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
42% | A 300 mL three-necked flask was charged with 1.21 ml (9.96 mmol) of the compound f,150 ml of dehydrated diethyl ether was added, and under a nitrogen atmosphereAnd the mixture was stirred at -70 C. or lower. N-Butyl lithium 6.0 ml (1.65 mol / l n-hexane solution,9.90 mmol) was added at -70 C. or less within 60 minutes, and the mixture was stirred for 2 hours.A solution of 0.29 ml (11.0 mmol) of compound g in 30 ml of dehydrated diethyl etherThe solution was added all at once and then stirred for a further 2 hours. After returning the reaction mixture to room temperature,100 ml of methanol was added to terminate the reaction. After distilling off the solvent,The obtained viscous substance was purified by silica gel column chromatography (hexane: ethyl acetate = 9: 1) to obtain 1.44 g (4.21 mmol) of the objective compound h,It was obtained in a yield of 42%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
76% | 1,3- dibromobenzenes (59.0 g, 250 mmol) aredissolved among the diethylether of 1.1 l and it cools to -65.The n-BuLi solution (2.5 M among the n-hexane) of 100 ml is dipped as thegradually and the mixture is stirred for the additional 1 hour. The N,N-dimethylcarbamoyl chloride is added under the fierce mixingat a time. In -65 the mixture, it heats to the gradually for 1 hourafter doing the mixing. Subsequently, the mixture of the acetic acid of thewater of 250 ml and 25 ml are dipped as the gradually. The product isprecipitated as the white solid. Solid is filtered to the suction andit rinses in fresh water after washing to water and ethanol. The yield is 42.2 g(76% of the Theoretical value) as the white solid |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
71% | With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In tetrahydrofuran; at 65℃; for 18h; | 1,3-dibromobenzene (1.6g, 0.010mol) in triphenylen-2-ylboronic acid (3.3g, 0.012mol) into the Preparation 1-7 Synthesized in the same manner as used to obtain the Intermediate 9-1> 2.7g (yield 71%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20℃; for 3h;Inert atmosphere; | Under an argon (Ar) atmosphere, In a 200 mL three-necked flask 1,3-dibromobenzene and tribenzocycloheptene, and 40 mL of THF (Tetrahydrofuran)It was set at -78 C. in the solvent. thereafter, 13.3 mL of a hexane solution (1.60 M) of n-BuLi was gradually added, and the mixture was stirred at -78 C. for 1 hour.after that, 9H-tribenzo[a,c,e][7]-annulen-9-one, 1,3-dibromobenzene and 43 g of a 50 mL THF solution was added dropwise, the temperature was returned to room temperature and stirred for 2 hours. After that, the organic layer was separated and the solvent was distilled off.The resulting crude product was purified by silica gel column chromatography (using a mixed solvent of toluene and hexane) and then recrystallized with a mixed solvent of toluene / hexane to obtain 7.70 g of white solid compound A (yield 88%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
65% | With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100℃; for 16h;Inert atmosphere; | [0168j To a solution of <strong>[109-11-5]morpholin-3-one</strong> (500 mg, 4.95 mmol) inl,4-dioxane (50 ml) was added 1,3-dibromobenzene (1.28 g, 5.44 mmol), palladium(II) acetate (106 mg, 0.47 mmol), Xantphos (407 mg, 0.71 mmol) and Cs2CO3 (3.1 g, 9.53 mmol). The reaction mixture was stirred at 100 C for 16 hours under N2. After 16 h, the reaction mixture was cooled to room temperature, concentrated in vacuo and the crude product was purified via flash chromatography on silica gel (0-30% ethyl acetate in petroleum ether) to provide 4-(3- bromophenyl)<strong>[109-11-5]morpholin-3-one</strong> (820 mg, 65% yield) as a pale-yellow solid. LCMS (ESI) [M+H] = 256.0. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
49% | Under nitrogen, 1,3-dibromobenzene (30.0 g, 127 mmol)Was dissolved in THF (tetrahydrofuran)After dissolving in 300 mL, nBuLi (2.5M) 140 mmol, 56.0 mL was added and stirred at -78 C for 1 hourEthyl-3-bromobenzoate (26.2 g, 114 mmol) is added with a small amount of solvent. After 10 hours, the reaction mixture was slowly warmed to room temperature, quenched with NH4Cl, and extracted with ethyl acetate.The resulting organic solvent layer was dried with anhydrous magnesium sulfate and concentrated under reduced pressure. This was subjected to column chromatography using ethyl acetate: hexane (EA: Hx) to obtain 21.0 g of [intermediate 1-1] (yield = 49%). | |
49% | 1,3-Dibromobenzene (30.0 g, 127 mmol) was dissolved in 300 mL of THF (tetrahydrofuran) under nitrogen, 140 mmol of nBuLi (2.5 M) (56.0 mL) was added and stirred at -78 C for 1 hour. Ethyl 3-Bromobenzoate (26.2 g, 114 mmol) was added with a small amount of solvent. After 10 hours, the temperature was gradually raised to room temperature, and the residue was extracted with NH4Cl and extracted with ethyl acetate (EA). The resulting organic solvent layer was dried with anhydrous magnesium sulfate and concentrated under reduced pressure. This was subjected to column chromatography with EA: Hx to obtain 21.0 g (yield = 49%) of [intermediate 1-1]. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
60% | With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In tetrahydrofuran; water; at 90℃; | 1,3-dibromobenzene (20.10 g, 85.45 mmol), the starting material,Was dissolved in THF (300 ml) in a round bottom flask, 4,4,5,5-tetramethyl-2- (triphenylen-2-yl) -1,3,2-dioxaborolane(33.32 g, 94.05 mmol), Pd (PPh3) 4 (3.95 g, 3.42 mmol), K2CO3 (35.45 g, 256.51 mmol) and water (150 ml) were added and stirred at 90 [deg.] C.After completion of the reaction, the reaction mixture was extracted with CH 2 Cl 2 and water. The organic layer was dried over MgSO 4 and concentrated. The resulting compound was purified by silicagel column and recrystallized19 to obtain Sub 2-59 (yield: 60%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,4-dioxane; water; at 100℃; | Take 1,3-dibromobenzene (CAS: 108-36-1)Completely dissolved in 1,4-dioxane aqueous solution (dioxane: water = 5: 1), then added 3.6g of <strong>[133730-34-4]2,4-dimethoxyphenylboronic acid</strong>, 0.4g of tetratriphenylphosphine palladium, 4.2g of sodium carbonate, the mixed system was heated to 100 C and refluxed overnight. After the reaction, the reaction solution was cooled to room temperature, the solvent was spin-dried, dissolved in dichloromethane, and extracted three times with water. The organic layer was dried over anhydrous Na2SO4, re-spinned and stirred, and separated by column chromatography to obtain monomer M16. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75% | (2) To be equipped with mechanical stirring, thermometer,After nitrogen substitution in the three-port reaction flask of the constant pressure dropping funnel,Add the raw materials 4a-1 (200mmol) in sequence,500.0ml tetrahydrofuran, start stirring, and cool down to -85 -90 ,Add 2mol / L n-butyllithium (210mmol) dropwise,The temperature during the dropping is maintained at -85 -90 , and the temperature is kept for 1h after the dropping is completed.A solution of the raw material <strong>[102645-33-0]2,5-dichloropyridine-4-aldehyde</strong> (200 mmol) + 140.0 ml of tetrahydrofuran was added dropwise.After the dropwise addition, the temperature was kept for 0.5h, and the temperature was naturally raised to room temperature for 3h.The reaction solution was poured into 10% aqueous ammonium chloride solution, and extracted with 320.0 ml of toluene,Separate the liquid and extract the aqueous phase once with 320.0 ml of toluene,Combine the organic phases, wash twice with 260.0 ml of water, and separate.The organic phase is dried by adding 12g of anhydrous sodium sulfate and filtered,The organic phase is concentrated (-0.08 -0.09MPa, 55 65 ) to no avail,Add 150.0ml petroleum ether and stir for 0.5h, filter, rinse the filter cake with petroleum ether,Intermediate 4a-2 (150 mmol) was obtained with a yield of 75%. |
Tags: 108-36-1 synthesis path| 108-36-1 SDS| 108-36-1 COA| 108-36-1 purity| 108-36-1 application| 108-36-1 NMR| 108-36-1 COA| 108-36-1 structure
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P260 | Do not breathe dust/fume/gas/mist/vapours/spray. |
P261 | Avoid breathing dust/fume/gas/mist/vapours/spray. |
P262 | Do not get in eyes, on skin, or on clothing. |
P263 | Avoid contact during pregnancy/while nursing. |
P264 | Wash hands thoroughly after handling. |
P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
P271 | Use only outdoors or in a well-ventilated area. |
P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
P283 | Wear fire/flame resistant/retardant clothing. |
P284 | Wear respiratory protection. |
P285 | In case of inadequate ventilation wear respiratory protection. |
P231 + P232 | Handle under inert gas. Protect from moisture. |
P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
P308 | IF exposed or concerned: |
P309 | IF exposed or if you feel unwell: |
P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
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 |
Sorry,this product has been discontinued.
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