[ CAS No. 169556-48-3 ] {[proInfo.proName]}

Name: 169556-48-3|N-Boc-DL-valinol|97%
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Quality Control of [ 169556-48-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 169556-48-3 ]

Product Details of [ 169556-48-3 ]

CAS No. :	169556-48-3	MDL No. :	MFCD01456557
Formula :	C₁₀H₂₁NO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OOQRRYDVICNJGC-UHFFFAOYSA-N
M.W :	203.28	Pubchem ID :	545981
Synonyms :

Calculated chemistry of [ 169556-48-3 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.9
Num. rotatable bonds :	6
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	55.86
TPSA :	58.56 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.38 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.51
Log Po/w (XLOGP3) :	1.64
Log Po/w (WLOGP) :	1.53
Log Po/w (MLOGP) :	1.26
Log Po/w (SILICOS-IT) :	0.87
Consensus Log Po/w :	1.56

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.74
Solubility :	3.72 mg/ml ; 0.0183 mol/l
Class :	Very soluble
Log S (Ali) :	-2.48
Solubility :	0.669 mg/ml ; 0.00329 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.54
Solubility :	5.89 mg/ml ; 0.029 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.74

Safety of [ 169556-48-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P270-P301+P312-P330	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 169556-48-3 ]

* 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 [ 169556-48-3 ]

[ 169556-48-3 ] Synthesis Path-Downstream 1~34

1
[ 117049-11-3 ]
[ 169556-48-3 ]

Reference： [1]Tetrahedron Letters,1988,vol. 29,p. 1265 - 1268

2
[ 169556-48-3 ]
[ 13734-41-3 ]

Reference： [1]Tetrahedron Letters,1988,vol. 29,p. 1265 - 1268

3
[ 169556-48-3 ]
N-tert-Butoxycarbonyl-2-amino-3-methyl-1-iodobutane [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 1 (2001),2000,p. 219 - 223

4
[ 169556-48-3 ]
2-tert-butoxycarbonylamino-3-methyl-butyric acid 2-tert-butoxycarbonylamino-3-methyl-butyl ester [ No CAS ]
[ 123285-52-9 ]

Reference： [1]Journal of Organic Chemistry,2005,vol. 70,p. 3343 - 3352
[2]Journal of Organic Chemistry,2005,vol. 70,p. 3343 - 3352

5
[ 169556-48-3 ]
[ 17016-83-0 ]

Reference： [1]Journal of the American Chemical Society,2006,vol. 128,p. 6536 - 6537

6
[ 169556-48-3 ]
N-tert-Butoxycarbonyl-3-methyl-1-phenyl-2-butylamine [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 1 (2001),2000,p. 219 - 223

7
[ 4530-20-5 ]
[ 169556-48-3 ]

Reference： [1]Tetrahedron Letters,1988,vol. 29,p. 1265 - 1268

8
[ 117681-86-4 ]
[ 169556-48-3 ]

Reference： [1]Tetrahedron Letters,1988,vol. 29,p. 1265 - 1268

9
[ 117049-08-8 ]
[ 169556-48-3 ]

Reference： [1]Tetrahedron Letters,1988,vol. 29,p. 1265 - 1268

10
[ 169556-48-3 ]
[ 98-59-9 ]
[ 317384-99-9 ]

Yield	Reaction Conditions	Operation in experiment
68%	With pyridine; at 10℃; for 2h;	Example A6 4-Methylbenzenesulfonyl chloride (0.2222 mol) was added portionwise at 10C to a mixture of 1,1-dimethylethyl (1-(hydroxymethyl)-2-methylpropyl]carbamoate (0.202 mol) in pyridine (65ml).. The mixture was stirred at 10C for 2 hours. H2O (75ml) was added at 10C. The precipitate was filtered off, washed with H2O and taken up in CH2Cl2.. The organic solution was washed with H2O, dried, filtered and the solvent was evaporated, yielding 49g of (+-)-1,1-dimethylethyl [1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-2-methylpropyl]carbamate (68%) (interm. 13).
68%	With pyridine; at 10℃; for 2h;	4-Methylbenzenesulfonyl chloride (0.2222 mol) was added portionwise at 10C to a mixture of <strong>[169556-48-3]1,1-dimethylethyl [1-(hydroxymethyl)-2-methylpropyl]carbamic acid (ester)</strong> (0.202 mol) in pyridine (65ml). The mixture was stirred at 10C for 2 hours. H2O (75ml) was added at 10C. The precipitate was filtered off, washed with H2O and taken up in CH2Cl2. The organic solution was washed with H2O, dried, filtered and the solvent was evaporated, yielding 49g (68%) of ()-1,1-dimethylethyl [1-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-2-methylpropyl]carbamate; mp. 85C(interm. 32).

Reference： [1]Patent: EP1196409,2004,B1 .Location in patent: Page 35
[2]Patent: EP1196410,2004,B1 .Location in patent: Page 38

11
[ 16369-05-4 ]
[ 24424-99-5 ]
[ 169556-48-3 ]

Yield	Reaction Conditions	Operation in experiment
73%	With sodium hydroxide; In tetrahydrofuran; at 20℃; for 24h;Cooling with ice;	To a magneticallystirred solution of valinol (4d, 2.0 g, 19.4 mmol) and 1 N NaOH (19.4 mL) inTHF (25 mL) in an ice bath, a solution of Boc2O (5.08 g, 23.3 mmol)in 15 mL of THF was added dropwise. The mixture reaction was stirred at roomtemperature for 24 h. Then, the solvent was evaporated under reduced pressureand the residue collected with EtOAc and washed with water and brine, dried (Na2SO4),and evaporated under vacuum to give 3.7 g of a white solid which wasrecrystalized from EtOAc/hexane to afford 2.85 g (73 %) of white crystals: mp 71-72 C; IR (KBr): 3419 (NH), 3274 (OH), 1683(CO); 1H NMR: delta 0.91 (d, J = 6.6Hz, 3H, CH3CHCH3),0.93 (d, J = 6.6 Hz, 3H, CH3CHCH3)1.42 (s, 9H, C(CH3)3),1.75-1.85 (m, 1H, CH(CH3)2),2.72-2.81 (m, 1H, exch D2O, OH), 3.35-3.45 (m, 1H, CH2CH),3.52-3.72 (m, 2H, CH2CH), 4.73 (d, J = 8.5 Hz, 2H,NH); 13C NMR: delta 18.7 (1C),19.7 (1C), 41.6 (1C), 28.6 (3C), 58.3 (1C), 64.3 (1C), 79.7 (1C), 157.1(1C); GC-MS (70 eV) m/z (%) 385 (M+ -31, 23), 57 (100); Anal.Calcd for (C10H21NO3): C, 59.08; H, 10.41; N,6.89. Found: C,59.54; H, 10.08; N, 6.98.

Reference： [1]European Journal of Medicinal Chemistry,2016,vol. 121,p. 300 - 307
[2]Advanced Synthesis and Catalysis,2009,vol. 351,p. 563 - 568
[3]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 3140 - 3144

12
[ 169556-48-3 ]
PhCH₂X [ No CAS ]
(1-benzyloxymethyl-2-methyl-propyl)-carbamic acid <i>tert</i>-butyl ester [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2009,vol. 351,p. 563 - 568

13
[ 169556-48-3 ]
[ 123285-52-9 ]

Reference： [1]Organic Letters,2016,vol. 18,p. 4518 - 4521
[2]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 3140 - 3144

14
[ 169556-48-3 ]
[ 138754-89-9 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 3140 - 3144

15
[ 169556-48-3 ]
[ 1435915-84-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 3140 - 3144

16
[ 169556-48-3 ]
[ 1435915-21-1 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 3140 - 3144

17
[ 169556-48-3 ]
[ 1435915-78-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 3140 - 3144

18
[ 169556-48-3 ]
[ 122-04-3 ]
rac-2-(Boc)amino-3-methylbutyl 4-nitrobenzoate [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2013,vol. 135,p. 15742 - 15745

19
[ 72-18-4 ]
[ 169556-48-3 ]

Reference： [1]Patent: WO2014/5129,2014,A1

20
[ 24424-99-5 ]
[ 169556-48-3 ]

Reference： [1]Patent: WO2014/5129,2014,A1
[2]Organic Letters,2016,vol. 18,p. 4518 - 4521

21
[ 13734-41-3 ]
[ 530-62-1 ]
[ 169556-48-3 ]

Yield	Reaction Conditions	Operation in experiment
86.5%		To a stirred solution of N-(tert-butoxycarbonyl)valine (Step A, 7.05 g, 32.4 mmol) intetrahydrofuran (65 mL) was added 1,1-carbonyldimidazole (5.25 g, 32.4 mmol), and the reactionmixture was stirred at ambient temperature for 10 minutes. Then a solution of sodium borohydride(1.96 g, 51.8 mmol) in water (32 mL) was added. The resulting solution was stirred at ambienttemperature for 12 hours. Then the mixture was diluted with ethyl acetate (200 mL), and the organic20 layer was separated, washed with 1 N hydrochloric acid (1 00 mL) and brine ( 60 mL ), dried over25Na2S04, passed through a short pad of Si02, and concentrated to afford 5. 7 g, 86.5% of the titledcompound as a white solid. 1H NMR (300 MHz, DMSO-d6) o ppm 0.76-0.90 (m, 6H), 1.38 (s, 9H),1.73-1.80(m, 1H), 3.17-3.40 (m, 3H), 4.42 (t, J=5.5Hz, 1H), 6.36(m, 1H).

Reference： [1]Patent: WO2014/5129,2014,A1 .Location in patent: Page/Page column 150

22
[ 169556-48-3 ]
[ 871235-24-4 ]

Reference： [1]Patent: WO2014/5129,2014,A1

23
[ 169556-48-3 ]
[ 1529801-90-8 ]

Reference： [1]Patent: WO2014/5129,2014,A1

24
[ 136918-14-4 ]
[ 169556-48-3 ]
[ 1529801-89-5 ]

Yield	Reaction Conditions	Operation in experiment
65%		Phthalimide (2.74 g, 18.6 mmol) was dissolved in dry tetrahydrofuran (120mL).5 Triphenylphosphine (9.76 g, 37.2 mmol) and <strong>[169556-48-3]tert-butyl (1-hydroxy-3-methylbutan-2-yl)carbamate</strong>(Step B, 2.52 g, 12.4 mmol) were added. The resulting colorless solution was cooled to 0 oc andstirred under nitrogen. Then diisopropylazodicarboxylate (6.27 g, 31 mmol) was slowly added. Thesolution was heated to ambient temperature and stirred for 12 hours. Then the reaction mixture wasconcentrated in vacuo, and the residue was purified with on silica gel column eluting with mixture10 hexane:ethyl acetate (3:1) to afford 2.7 g, 65% of the titled compound as a white solid. 1H NMR (300MHz, CDCb) o ppm 1.03 (t, J=9.2Hz, 6H), 1.2 (s, 9H), 1.80-1.90 (m, 1H), 3.63-3.96 (m, 3H), 4.50-4.60 (m, 1H), 7.65-7.75 (m, 2H), 7.80-7.90(m, 2H).

Reference： [1]Patent: WO2014/5129,2014,A1 .Location in patent: Page/Page column 151

25
3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-((5-methyl-1,1-dioxido-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(3H)-yl)methyl)phenyl)propanoic acid [ No CAS ]
[ 169556-48-3 ]
2-amino-3-methylbutyl-3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-((5-methyl-1,1-dioxido-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(3H)-yl)methyl)phenyl)propanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
60.7%		Example 1012-Amino-3-methylbutyl 3-(1,4-dimethyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-((5-methyl-1,1-dioxido-4,5-dihydrobenzo[f][1,2,5]thiadiazepin-2(3H)-yl)methyl)phenyl)propanoateTo a solution of 3-(1 ,4-dimethyl-1 H-benzo[d][1 ,2,3]triazol-5-yl)-3-(4-methyl-3-((5- methyl-1 ,1-dioxido-4,5-dihydrobenzo[f][1 ,2,5]thiadiazepin-2(3H)- yl)methyl)phenyl)propanoic acid (60 mg, 0.1 12mmol) in DCM (2 mL) was added oxalyl dichloride (0.064 mL, 0.450 mmol) and a drop of DMF. The mixture was stirred at RT for 20 h. Tert-butyl (1-hydroxy-3-methylbutan-2-yl)carbamate (68.6 mg, 0.337 mmol) was added and stirred for 2 h. 30 mg of tert-Butyl (1-hydroxy-3-methylbutan-2-yl)carbamate was added and stirred at for 18 h. The solvent was removed and the crude product purified with preparative HPLC under neutral conditions to give the title compound (50 mg, 0.068 mmol, 60.7 % yield) as pink solid. LC-MS m/z 619.4 (M+H)+, 0.89 min (ret. time).

Reference： [1]Patent: WO2015/92713,2015,A1 .Location in patent: Page/Page column 254

26
[ 169556-48-3 ]
1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine [ No CAS ]
1-(2,6-dimethylphenoxy)-3-methylbutan-2-amine hydrochloride [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,2016,vol. 121,p. 300 - 307

27
[ 576-26-1 ]
[ 169556-48-3 ]
tert-butyl [1-(2,6-dimethylphenoxy)-3-methylbutan-2-yl]carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
63%	With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20℃;Inert atmosphere;	A solution ofdiisopropylazodicarboxylate (DIAD, 2.88 mL, 14.6 mmol) in dry THF (30 mL) wasadded dropwise to a solution of 5d(2.0 g, 9.8 mmol), 2,6-dimethylphenol (1.78 g, 14.6 mmol) andtriphenylphosphine (3.83 g, 14.6 mmol) in dry THF (40 mL) under N2atmosphere at room temperature. The reaction mixture was stirred overnight andthen was concentrated in vacuo. Et2O was added to the residue andthe solid filtered off. The filtrate was evaporated and the residue waspurified by flash chromatography (petroleum ether/EtOAc 9.5:0.5) to give 1.9 gof the desired compound as a yellow oil (63%): 1H NMR (300 MHz, CDCl3): delta 1.02 (d, J = 6.6 Hz, 2H, CH3CHCH3), 1.07 (d,J = 6.6 Hz, 2H, CH3CHCH3), 1.46 (s, 9H, C(CH3)3),2.02-2.18 (m, 1H, CH(CH3)2),2.28 (s, 6H, CH3Ar), 3.54-3.70(m, 1H, CHCH2), 3.76 (dd, J = 4.1, 9.1 Hz, 1H, CHHCH), 3.87 (dd, J = 3.6, 9.4 Hz, 1H, CHHCH),4.92 (d, J = 9.7 Hz, 1H, NH),6.91 (dd, J = 6.0, 8.3 Hz, 1H, Ar), 4.92 (d, J= 7.2 Hz, 2H, Ar); 13C NMR (300 MHz, CDCl3):d 16.6 (2C), 19.0 (1C), 20.1 (1C), 28.7 (3C), 29.4(1C), 56.5 (1C), 71.7 (1C), 79.4 (1C), 124.2 (1C), 129.2 (2C), 131.0 (2C),155.6 (1C), 156.1 (1C); MS (70 eV) m/z(%) 307 (M+,

Reference： [1]European Journal of Medicinal Chemistry,2016,vol. 121,p. 300 - 307

28
[ 516-06-3 ]
[ 169556-48-3 ]

Reference： [1]Organic Letters,2016,vol. 18,p. 4518 - 4521

29
[ 13734-41-3 ]
[ 169556-48-3 ]

Reference： [1]Organic Letters,2016,vol. 18,p. 4518 - 4521

30
[ 169556-48-3 ]
tert-butyl (1-(4-fluoro-2-formyl-5-methoxyphenoxy)-3-methylbutan-2-yl)carbamate [ No CAS ]

Reference： [1]Patent: WO2018/85619,2018,A1

31
[ 169556-48-3 ]
[ 124-63-0 ]
2-((tert-butoxycarbonyl)amino)-3-methylbutyl methanesulfonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In tetrahydrofuran; at 20℃;	tert-butyl N-( 1 -hydroxy-3 -methylbutan-2-yl)carb amate (600 mg, 2.95 mmol) and triethylamine(1.2 mL, 8.85 mmol) were dissolved in anhydrous THF (30 mL). Methanesulfonyl chloride (473 mg, 4.13 mmol) was added drop-wise and the mixture was stirred overnight at RT. The reaction was diluted with H20 (25 mL) and extracted with EtOAc (2x25 mL). The combined organicfractions were washed with sat. aqueous brine solution (10 mL), dried over sodium sulfate and concentrated under vacuum to give crude tert-butyl N-[1-(methanesulfonyloxy)-3-methylbutan- 2-yl]carbamate as a white solid that was used without further purification (0.73 g, 89% yield, m/z: 282 [M+H] observed).

Reference： [1]Patent: WO2018/85619,2018,A1 .Location in patent: Page/Page column 106

32
3-(o-tolyl)picolinaldehyde [ No CAS ]
[ 54010-75-2 ]
[ 169556-48-3 ]
[ 1539-42-0 ]
C₃₅H₄₃N₅O₃Zn⁽²⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With 4-(2-chloroethyl)morpholine hydrochride; In acetonitrile; at 20℃; for 16h;Sonication; Molecular sieve; Darkness;	General procedure: An aldehyde (30 mmol), Zn(OTf)2 (13 mg, 35 mmol), and (N-Chloroethyl)morpholine HCl 6.5 mg, 35 mmol) were added to a 1dram vial. The dry solvent, acetonitrile (1mL), was added to the vial. Afterwards dipicolylamine (7 muL 35 mmol) was added to the vial and the vial was sonicated. Once the solution was transparent molecular sieves were added to the solution along with the respective alcohol (175 mmol). The assemblies were incubated for 16 h at room temperature in the dark.

Reference： [1]Chem,2019,vol. 5,p. 3196 - 3206

33
[ 54010-75-2 ]
[ 169556-48-3 ]
[ 1539-42-0 ]
[ 206181-89-7 ]
C₃₄H₄₁N₅O₃Zn⁽²⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With 4-(2-chloroethyl)morpholine hydrochride; In acetonitrile; at 20℃; for 16h;Sonication; Molecular sieve; Darkness;	General procedure: An aldehyde (30 mmol), Zn(OTf)2 (13 mg, 35 mmol), and (N-Chloroethyl)morpholine HCl 6.5 mg, 35 mmol) were added to a 1dram vial. The dry solvent, acetonitrile (1mL), was added to the vial. Afterwards dipicolylamine (7 muL 35 mmol) was added to the vial and the vial was sonicated. Once the solution was transparent molecular sieves were added to the solution along with the respective alcohol (175 mmol). The assemblies were incubated for 16 h at room temperature in the dark.

Reference： [1]Chem,2019,vol. 5,p. 3196 - 3206

34
[ 55589-47-4 ]
[ 54010-75-2 ]
[ 169556-48-3 ]
[ 1539-42-0 ]
C₂₉H₃₉N₅O₃Zn⁽²⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With 4-(2-chloroethyl)morpholine hydrochride; In acetonitrile; at 20℃; for 16h;Sonication; Molecular sieve; Darkness;	General procedure: An aldehyde (30 mmol), Zn(OTf)2 (13 mg, 35 mmol), and (N-Chloroethyl)morpholine HCl 6.5 mg, 35 mmol) were added to a 1dram vial. The dry solvent, acetonitrile (1mL), was added to the vial. Afterwards dipicolylamine (7 muL 35 mmol) was added to the vial and the vial was sonicated. Once the solution was transparent molecular sieves were added to the solution along with the respective alcohol (175 mmol). The assemblies were incubated for 16 h at room temperature in the dark.

Reference： [1]Chem,2019,vol. 5,p. 3196 - 3206

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P233	Keep container tightly closed.
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P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
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

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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. 169556-48-3 ] {[proInfo.proName]}

Quality Control of [ 169556-48-3 ]

Related Doc. of [ 169556-48-3 ]

Product Details of [ 169556-48-3 ]

Calculated chemistry of [ 169556-48-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 169556-48-3 ]

Application In Synthesis of [ 169556-48-3 ]

[ 169556-48-3 ] Synthesis Path-Downstream 1~34

Related Functional Groups of [ 169556-48-3 ]

Aliphatic Chain Hydrocarbons

Alcohols

Amides

Amines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 169556-48-3 ]