6398-87-4|3-(1,3-Dioxolan-2-yl)aniline| Ambeed

Size	Price	VIP Price	US Stock	Global Stock	In Stock
{[ item.pr_size ]}		Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

{[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

Quality Control of [ 6398-87-4 ] Purity: 95% SDS Specification

COA

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

NMR

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

CNMR

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

HPLC

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

LC-MS

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

1-2 Day Shipping
High Quality
Technical Support

Product Details of [ 6398-87-4 ]

CAS No. :	6398-87-4
Formula :	C₉H₁₁NO₂
M.W :	165.19
SMILES Code :	NC1=CC=CC(C2OCCO2)=C1
MDL No. :	MFCD00272236
InChI Key :	SPLTWZBWXIJQME-UHFFFAOYSA-N
Pubchem ID :	7020362

Safety of [ 6398-87-4 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Computational Chemistry of [ 6398-87-4 ] Show Less

Physicochemical Properties

Num. heavy atoms	12
Num. arom. heavy atoms	6
Fraction Csp3	0.33
Num. rotatable bonds	1
Num. H-bond acceptors	2.0
Num. H-bond donors	1.0
Molar Refractivity	45.48
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	44.48 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	1.66
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	0.65
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	1.0
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	0.93
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	1.51
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	1.15

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-1.58
Solubility	4.37 mg/ml ; 0.0264 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Very soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-1.16
Solubility	11.4 mg/ml ; 0.0692 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Very soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-2.11
Solubility	1.28 mg/ml ; 0.00776 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
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) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	Yes
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	No
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	No
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	No
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	No
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-6.85 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	1.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	1.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<1.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	1.71

Application In Synthesis of [ 6398-87-4 ]

* 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 [ 6398-87-4 ]

[ 6398-87-4 ] Synthesis Path-Downstream 1~35

1
[ 6398-87-4 ]
[ 41607-95-8 ]
3-(2-methoxy-phenyl)-3-oxo-propionic acid-(3-[1,3]dioxolan-2-yl-anilide) [ No CAS ]

References: [1]Journal of the American Chemical Society,1954,vol. 76,p. 3593.

2
[ 6398-87-4 ]
[ 33813-31-9 ]
4-[(3-[1,3]dioxolan-2-yl-phenylcarbamoyl)-acetyl]-benzoic acid [ No CAS ]

References: [1]Journal of the American Chemical Society,1954,vol. 76,p. 3593.

3
[ 6398-87-4 ]
[ 141-97-9 ]
[ 643743-35-5 ]

References: [1]Journal of the American Chemical Society,1954,vol. 76,p. 3593.
[2]Patent: US2507110,1946,A .

4
[ 6398-87-4 ]
[ 94-02-0 ]
3-oxo-3-phenyl-propionic acid-(3-[1,3]dioxolan-2-yl-anilide) [ No CAS ]

References: [1]Journal of the American Chemical Society,1954,vol. 76,p. 3593.

5
[ 6398-87-4 ]
[ 2881-63-2 ]
3-(4-chloro-phenyl)-3-oxo-propionic acid-(3-[1,3]dioxolan-2-yl-anilide) [ No CAS ]

References: [1]Journal of the American Chemical Society,1954,vol. 76,p. 3593.

6
[ 6398-87-4 ]
[ 2881-83-6 ]
3-(4-methoxy-phenyl)-3-oxo-propionic acid-(3-[1,3]dioxolan-2-yl-anilide) [ No CAS ]

References: [1]Journal of the American Chemical Society,1954,vol. 76,p. 3593.

7
[ 6952-67-6 ]
[ 6398-87-4 ]

Yield	Reaction Conditions	Operation in experiment
97%	With palladium 10% on activated carbon; hydrogen; In methanol; at 20℃; for 4h;	A mixture of compound 3 (1.95 g, 0.01 mol) and Pd/C (0.1 g,10%) in 50 mL methanol was stirred under hydrogen at room temperaturefor 4 h. The reaction mixture was filtered and the filtratewas evaporated to afford compound 4, a yellow oil with 97% yield,MS (ESI) m/z: 166 (M+ H)+. The 1H NMR spectrum was in accordancewith that described in the literature.42
82.7%	With iron; ammonium chloride; In ethanol; water; at 80℃; for 0.5h;	Compound 16b (6.45 g, 33.1 mmol) was dissolved in a mixed solvent of ethanol (50 mL) and water (25 mL) at room temperature.Ammonium chloride (885.4 mg, 16.55 mmol) and iron powder (9.27 g, 165.5 mmol) were added and reacted at 80 C for about 30 minutes.After the TLC was used to detect the completion of the reaction, the mixture was filtered while hot, and the filtrate was evaporated under reduced pressure.The organic phase was combined, washed with brine, dried over anhydrous magnesium sulfateThe yellow liquid compound 16c was obtained in an amount of 4.52 g, yield 82.7%.
55%	With palladium on activated charcoal; hydrogen; In ethanol; at 20℃;	Step 10b. 3-(1,3-Dioxolan-2-yl)aniline (compound 8003) A mixture of 8002 (215 mg, 1.1 mmol), Pd/C (100 mg, 50%) in ethanol (10 mL) was stirred under hydrogen at room temperature overnight. The mixture was filtered and the filtrate was evaporated in vacuo. The crude product was purified by column chromatography (hexanes/ethyl acetate: 8/1) to afford compound 8003 as a yellow solid (100 mg, 55%). LCMS: m/z 166.1 [M+1]+. 1H NMR (400 MHz, DMSO-d6): δ 3.86-4.03 (m, 4H), 5.10 (s, 1H), 5.55 (s, 1H), 6.54 (d, J=7.6 Hz, 2H), 6.63 (s, 1H), 6.99 (t, J=7.6 Hz, 1H).

	With hydrogen;palladium on activated charcoal; In ethanol; for 4h;	For compound (163) the commercially 3-nitrobenzaldehyde was converted to the cyclic acetal, 2-(3-nitro-phenyl)-[1,3]dioxolane using ethylene glycol and TsOH in refluxing benzene under Dean-Stark conditions. The nitro group of the 1.0 dioxolane was then reduced via H2 Pd/C reduction in EtOH (See above compound 42) for 4 hrs to give the phenylamine, 3-[1,3]dioxolan-2-yl-phenylamine. The phenylamine was alkylated with 2 eq 3-chloro-1,2-propanediol in EtOH using K2CO3 at RT (See above compound 41) for 48 hr. (to give 3-[(2,3-dihydroxy-propyl)-(3-[1,3]dioxolan-2-yl-phenyl)-amino]-propane-1,2-diol. The cyclic acetal of this dioxolane deprotected using 1 M HCl in THF for 20 min to give 3-[bis-(2,3-dihydroxy-propyl)-amino]-benzaldehyde. This aldehyde was coupled with the respective hydrazine to give the hydrazone under conditions given in Example 5;
	With hydrazine hydrate; In methanol; for 1h;Reflux;	A mixture of the nitro compound 3 (6.5 mmol), hydrazine hydrate(18.5 mmol) and Raney nickel (356 mg) in methanol (25.0 mL)was heated under reflux for 1 h. The hot solution was filtered andevaporated under reduced pressure. After cooling, the oil wasfiltered through a pad of silica gel for purification.4.2.2.1. 3-(1,3-Dioxolan-2-yl)aniline 4. Yellow oil; 89% yield. FTIR (ATR) ν (cm-1): 3365 and 3226 (NH2), 1625 (C=C), 1316(=C-N), 1092 and 1070 (C-O-C). 1H NMR (400 MHz, DMSO-d6) δ ppm 3.86-4.02 (m, 4H, H4', H5'), 5.09 (s, 2H, NH2), 5.56 (s, 1H, H20),6.53-6.59 (m, 2H, H4, H6), 6.66 (d, J = 1.7 Hz, 1H, H2), 7.01 (t,J = 7.7 Hz, 1H, H5). MS (70 eV) m/z (%): 165/166 [M+] (100/11), 164(49), 120 (26), 93 (40), 73 (23).
	With iron; ammonium chloride; In ethanol; water; at 80℃; for 1h;	General procedure: A slurry of nitro-compound (1.0 equiv.), iron powder (5.0 equiv.)and ammonium chloride (0.5 equiv.) in EtOH/H2O (3:1) was heated at 80 C for 1 h. The mixture was filtered through celite. The filtrate was extracted with EA. The combined organic layers were washed with brine, dried over anhydrous Na2SO4. The solvent was evaporated and the crude product was charged on a silica gel column chromatographyto afford amine in high yield.

References: [1]Green Chemistry,2017,vol. 19,p. 3400 - 3407.
[2]Bioorganic and Medicinal Chemistry,2018,vol. 26,p. 8 - 16.
[3]Patent: CN108689937,2018,A .Location in patent: Paragraph 0138; 0140; 0143; 0144.
[4]Patent: US2014/18368,2014,A1 .Location in patent: Paragraph 0162; 0222.
[5]Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry,1954,vol. 57,p. 826.
Chem.Abstr.,1955,p. 10628.
[6]Patent: US2481434,1946,A .
[7]Journal of Organic Chemistry,2004,vol. 69,p. 5247 - 5260.
[8]Patent: US2006/4002,2006,A1 .Location in patent: Page/Page column 42.
[9]European Journal of Medicinal Chemistry,2017,vol. 131,p. 237 - 254.
[10]Journal of Organic Chemistry,2017,vol. 82,p. 8580 - 8589.
[11]Bioorganic and Medicinal Chemistry,2019,vol. 27,p. 1087 - 1098.

8
Benzhydrylidene-(3-[1,3]dioxolan-2-yl-phenyl)-amine [ No CAS ]
[ 6398-87-4 ]

References: [1]Tetrahedron Letters,1997,vol. 38,p. 6367 - 6370.
[2]Tetrahedron Letters,2009,vol. 50,p. 1582 - 1585.

9
[ 6398-87-4 ]
3-<4-ethoxycarbonyl-phenyl>-3-oxo-propionic acid ethyl ester [ No CAS ]
4-[(3-[1,3]dioxolan-2-yl-phenylcarbamoyl)-acetyl]-benzoic acid ethyl ester [ No CAS ]

References: [1]Journal of the American Chemical Society,1954,vol. 76,p. 3593.

10
[ 6398-87-4 ]
3-oxo-3-<2-phenoxy-phenyl>-propionic acid ethyl ester [ No CAS ]
3-oxo-3-(2-phenoxy-phenyl)-propionic acid-(3-[1,3]dioxolan-2-yl-anilide) [ No CAS ]

References: [1]Journal of the American Chemical Society,1954,vol. 76,p. 3593.

11
[ 17789-14-9 ]
[ 6398-87-4 ]

References: [1]Organic letters,2001,vol. 3,p. 3417 - 3419.
[2]Nature Chemistry,2017,vol. 9,p. 681 - 688.
[3]Tetrahedron Letters,1997,vol. 38,p. 6367 - 6370.

12
2-(3-[1,3]dioxolan-2-yl-phenyl)-1,1,1,3,3,3-hexamethyl-disilazane [ No CAS ]
[ 6398-87-4 ]

References: [1]Organic Letters,2001,vol. 3,p. 2729 - 2732.

13
[ 6398-87-4 ]
[ 24424-99-5 ]
3-([1,3]dioxolan-2-yl)phenylcarbamic acid tert-butyl ester [ No CAS ]

References: [1]Tetrahedron Letters,2007,vol. 48,p. 9044 - 9047.

14
[ 6398-87-4 ]
2-(3-nitrenophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl [ No CAS ]

References: [1]Journal of Organic Chemistry,2004,vol. 69,p. 5247 - 5260.

15
[ 6398-87-4 ]
[ 364038-63-1 ]

References: [1]Journal of Organic Chemistry,2004,vol. 69,p. 5247 - 5260.

16
[ 6398-87-4 ]
[ 364038-67-5 ]

References: [1]Journal of Organic Chemistry,2004,vol. 69,p. 5247 - 5260.

17
[ 6398-87-4 ]
2-(3-azidophenyl)-4,4,5,5-tetramethyl-1-oxo-4,5-dihydroimidazolium-N⁽³⁾-oxide perchlorate [ No CAS ]

References: [1]Journal of Organic Chemistry,2004,vol. 69,p. 5247 - 5260.

18
[ 99-61-6 ]
2-hydroxyamino-1-acetoxy-1-<3.4-dimethoxy-phenyl>-propane hydrochloride [ No CAS ]
[ 6398-87-4 ]

References: [1]Journal of Organic Chemistry,2004,vol. 69,p. 5247 - 5260.

19
[ 99-61-6 ]
[ 6398-87-4 ]

References: [1]Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry,1954,vol. 57,p. 826.
Chem.Abstr.,1955,p. 10628.
[2]Patent: US2481434,1946,A .
[3]Patent: US2014/18368,2014,A1 .
[4]European Journal of Medicinal Chemistry,2017,vol. 131,p. 237 - 254.
[5]Journal of Organic Chemistry,2017,vol. 82,p. 8580 - 8589.
[6]Bioorganic and Medicinal Chemistry,2018,vol. 26,p. 8 - 16.
[7]Patent: CN108689937,2018,A .
[8]Bioorganic and Medicinal Chemistry,2019,vol. 27,p. 1087 - 1098.

20
[ 6398-87-4 ]
[ 96-24-2 ]
3-[(2,3-dihydroxy-propyl)-(3-[1,3]dioxolan-2-yl-phenyl)-amino]-propane-1,2-diol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In ethanol; at 20℃; for 48h;	For compound (163) the commercially 3-nitrobenzaldehyde was converted to the cyclic acetal, 2-(3-nitro-phenyl)-[1,3]dioxolane using ethylene glycol and TsOH in refluxing benzene under Dean-Stark conditions. The nitro group of the 1.0 dioxolane was then reduced via H2 Pd/C reduction in EtOH (See above compound 42) for 4 hrs to give the phenylamine, <strong>[6398-87-4]3-[1,3]dioxolan-2-yl-phenylamine</strong>. The phenylamine was alkylated with 2 eq 3-chloro-1,2-propanediol in EtOH using K2CO3 at RT (See above compound 41) for 48 hr. (to give 3-[(2,3-dihydroxy-propyl)-(3-[1,3]dioxolan-2-yl-phenyl)-amino]-propane-1,2-diol. The cyclic acetal of this dioxolane deprotected using 1 M HCl in THF for 20 min to give 3-[bis-(2,3-dihydroxy-propyl)-amino]-benzaldehyde. This aldehyde was coupled with the respective hydrazine to give the hydrazone under conditions given in Example 5;

References: [1]Patent: US2006/4002,2006,A1 .Location in patent: Page/Page column 42.

21
[ 6398-87-4 ]
[ 29921-57-1 ]
[ 161357-09-1 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride;	a) 2-{N,N-Bis-[(1-methylethyl)-oxycarbonylmethyl]-3-aminophenyl}-1,3-dioxolan 165.19 g (1.00 mol) of 2-(3-aminophenyl)-1,3-dioxolan (CA 108 (15): 131815 r), 156.35 g (3.00 mol) of pulverized potassium hydroxide and 11.39 g (0.05 mol) of benzyltriethylammonium chloride are vigorously mechanically stirred under argon and heated to 80 C. 543.09 g (3.00 mol) of bromoacetic acid isopropyl ester is instilled in the suspension and the reaction mixture is stirred for about 8 hours at 80 C. Then, it is filtered, the filtrate is shaken out several times with concentrated aqueous sodium bicarbonate solution, the organic phase is dried on anhydrous magnesium sulfate, filtered and concentrated by evaporation in a vacuum. The residue is chromatographed on silica gel 60 (Merck) with methylene chloride/methanol. After concentration by evaporation, the product fractions yield a colorless oil. Yield: 288.69 g (79% of theory) Analysis (relative to anhydrous substance): C 62.45 H 7.45 N 3.83 O 26.27 Cld. C 62.39 H 7.53 N 3.84

References: [1]Patent: US5674467,1997,A .

22
[ 99-61-6 ]
[ 6398-87-4 ]
[ 6952-67-6 ]

Yield	Reaction Conditions	Operation in experiment
100%	With toluene-4-sulfonic acid; In ethylene glycol; benzene;	A mixture of 3-nitrobenzaldehyde (100 g, 0.66 mole), ethylene glycol (49.3 g, 0.7 mole) and p-toluenesulfonic acid (0.8 g) and benzene (1 L) was heated at reflux with continuous removal of water via a Dean and Stark trap. After 4 hours, the mixture was cooled, filtered through a pad of neutral alumina and concentrated in vacuo to afford 2-(3-nitrophenyl)-1,3-dioxolane (130.4 g, 100%) as an amber oil used without further purification below. Step (b) 2-(3-Aminophenyl)-1,3-dioxolane

References: [1]Patent: US4701459,1987,A .

23
[ 6398-87-4 ]
[ 75-36-5 ]
N-[3-(1,3-dioxolan-2-yl)phneyl]acetamide [ No CAS ]
[ 59755-25-8 ]

Yield	Reaction Conditions	Operation in experiment
85%	With pyridine; In ethyl acetate;	Pyridine (31.3 g, 0.4 mole) was added to the above cooled (ice bath) ethylacetate solution of 2-(3-aminophenyl)1,3-dioxolane followed by dropwise addition of acetyl chloride (31.1 g, 0.4 mole) in ethyl acetate (50 mL) over 45 minutes. The ice bath was removed and the mixture stirred at room temperature for 30 minutes before being washed with water and dried over magnesium sulfate. Evaporation of the solvent afford N-[3-(1,3-dioxolan-2-yl)phneyl]acetamide (58.2 g, 85%) as an amber oil used without further purification below. Step (d) N-(3-Formylphenyl)acetamide

References: [1]Patent: US4701459,1987,A .

24
[ 64-17-5 ]
[ 6952-67-6 ]
[ 7439-89-6 ]
[ 6398-87-4 ]

Yield	Reaction Conditions	Operation in experiment
	With ammonium chloride; In water;	Preparation 118 To a mixture of 2-(3-nitrophenyl)-1,3-dioxolane (12.8g), ammonium chloride (1.75g), ethyl alcohol (100ml) and water (50ml) were added Celite (12.8g) and iron powder (11.0g) under stirring at 70C. The stirring was continued at reflux for 40 minutes. After cooling, the reaction mixture was diluted with ethyl acetate (250ml) and filtered through Celite. The filtrate was washed with saturated aqueous sodium hydrogen carbonate (200ml) and brine (100ml). The separated organic layer was dried over magnesium sulfate, decolored with activated carbon and filtered. The solvent was evaporated to give 3-(1,3-dioxolan-2-yl)aniline (9.76g) as oil. MS:166(M+1) NMR(DMSO, δ):3.8-4.1(4H,m). 5.10(2H,br s), 5.55(1H,s), 6.4-6.7(3H,m), 7.00(1H,t, J=7.7Hz)

References: [1]Patent: EP1264820,2002,A1 .

25
[ 6398-87-4 ]
[ 75-36-5 ]
[ 113260-07-4 ]

Yield	Reaction Conditions	Operation in experiment
90%	With pyridine; In CH2Cl2;	A solution of acetyl chloride (3.75 g, 0.048 mol, 3.4 mL) in CH2Cl2 (6.5 mL) was added dropwise over 15 min to an ice-bath chilled solution of <strong>[6398-87-4]3-[1,3]dioxolan-2-yl-phenylamine</strong> (7.18 g, 0.043 mol) and pyridine (3.40 g, 0.043 mol, 3.5 mL) in CH2Cl2 (85 mL). The solution was then brought to room temperature, stirred for 1 hr, and poured onto ice-water (60 mL). The phases were separated, and the organic layer washed with water, saturated NaHCO3, brine and dried with MgSO4. Removal of the solvent in vacuo afforded N-(3-[1,3]dioxolan-2-yl-phenyl)-acetamide (8.01 g, 90%). 1H NMR (CDCl3) δ2.08 (s, 3H), 4.03 (d of mult., ethylenedioxy), 5.71 (s, 1H), 7.17 (d, J=8 Hz, 1H), 7.26 (t, J=8 Hz, 1H), 7.53 (d, J=8 Hz, 1H), 7.62 (s, 1H), 8.32 (br s, 1H). 13C NMR (CDCl3) δ168.9, 138.8, 138.3, 129.1, 122.3, 120.8, 118.1, 103.5, 65.4, 24.4.

References: [1]Patent: US2004/33995,2004,A1 .

26
[ 75-15-0 ]
[ 6398-87-4 ]
[ 1031239-30-1 ]

References: [1]Tetrahedron Letters,2008,vol. 49,p. 3117 - 3119.

27
[ 6398-87-4 ]
[ 87-13-8 ]
diethyl (((3-(1,3-dioxolan-2-yl)phenyl)amino)methylene)malonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
100%	at 115℃; for 12h;Neat (no solvent);	A mixture of compounds 5 (Alfa Aesar) and 6 (Aldrich) was heated to 115C overnight in a 100 mL 1-neck round bottom flask fitted with a Dean-Stark trap, after which it was allowed to cool to room temperature. Rotary evaporation (lh/40C) removes most of the residual EtOH. The product, 7 (20.30 g, quantitative yield) is a thick oil that solidifies in time, in the freezer or after vigorous mortaring. Analysis (1H NMR) indicates that it is of high enough purity to be used as such in the next step. In Process assay: HPLCProduct LD. : 1H NMR.

References: [1]Patent: WO2008/70291,2008,A2 .Location in patent: Page/Page column 11; 15.

28
[ 6398-87-4 ]
[ 98-88-4 ]
[ 1152493-20-3 ]

References: [1]Journal of Organic Chemistry,2009,vol. 74,p. 4272 - 4277.

29
[ 99-61-6 ]
[ 107-21-1 ]
[ 6398-87-4 ]

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 314-[3-([4-methyl-3-(trifluoromethyl)phenyl]carbamoyl}amino)benzyl]-amino}-1H-pyrazole-3-carboxamide trifluoroacetate Preparation of 1-(3-formylphenyl)-3-(4-methyl-3-trifuoromethylphenyl)urea The urea was prepared in the following manner: 3 g of 3-nitrobenzaldehyde (20 mmol), 3.4 ml of ethylene glycol (60 mmol) and 0.3 g of para-toluenesulfonic acid dissolved in 250 ml of toluene are boiled for 4 hours and the mixture is then poured into 100 ml of saturated sodium bicarbonate solution and extracted with twice 50 ml of ethyl acetate. The combined organic phases are washed with water, dried over sodium sulfate and evaporated under vacuum. The crude product is directly hydrogenated in 20 ml of THF in the presence of 160 mg of platinum oxide in a Parr flask. After hydrogenation for 4 hours at room temperature, the reaction mixture is filtered through Celite. To avoid any degradation, the aniline obtained is left dissolved in the THF at a concentration of 10 mmol/20 ml and used in this form for the formation of the urea. 2 ml of the aniline solution (1 mmol) are treated with 200 mg of 4-methyl-3-trifluoromethylphenyl isocyanate for 4 hours at room temperature. The mixture is poured into 100 ml of 10% HCl solution and extracted with twice 50 ml of ethyl acetate. The combined organic phases are washed with water, dried over sodium sulfate and evaporated under vacuum. 320 mg of expected product are isolated in the form of a solid. (quantitative yield) EIMS ([M+H]+): 323. RT=4.37 min (acetonitrile/water gradient from 30% to 90%-Method B).Preparation of Example 31:Example 31 was prepared according to the method described for Example 1, starting with 200 mg of resin (ii), 193 mg of urea (0.6 mmol, 3 eq.) and 66 mg of sodium cyanoborohydride (1 mmol; 5 eq.). After purification by preparative HPLC, 36.7 mg of product 31 are isolated. (yield=34%). EIMS ([M+H]+): 433. RT=4.64 min (acetonitrile/water gradient from 5% to 85%-Method B).

References: [1]Patent: US2009/291984,2009,A1 .Location in patent: Page/Page column 20.

30
[ 6398-87-4 ]
[ 51903-64-1 ]
[ 1026988-03-3 ]

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 314-[3-([4-methyl-3-(trifluoromethyl)phenyl]carbamoyl}amino)benzyl]-amino}-1H-pyrazole-3-carboxamide trifluoroacetate Preparation of 1-(3-formylphenyl)-3-(4-methyl-3-trifuoromethylphenyl)urea The urea was prepared in the following manner: 3 g of 3-nitrobenzaldehyde (20 mmol), 3.4 ml of ethylene glycol (60 mmol) and 0.3 g of para-toluenesulfonic acid dissolved in 250 ml of toluene are boiled for 4 hours and the mixture is then poured into 100 ml of saturated sodium bicarbonate solution and extracted with twice 50 ml of ethyl acetate. The combined organic phases are washed with water, dried over sodium sulfate and evaporated under vacuum. The crude product is directly hydrogenated in 20 ml of THF in the presence of 160 mg of platinum oxide in a Parr flask. After hydrogenation for 4 hours at room temperature, the reaction mixture is filtered through Celite. To avoid any degradation, the aniline obtained is left dissolved in the THF at a concentration of 10 mmol/20 ml and used in this form for the formation of the urea. 2 ml of the aniline solution (1 mmol) are treated with 200 mg of 4-methyl-3-trifluoromethylphenyl isocyanate for 4 hours at room temperature. The mixture is poured into 100 ml of 10% HCl solution and extracted with twice 50 ml of ethyl acetate. The combined organic phases are washed with water, dried over sodium sulfate and evaporated under vacuum. 320 mg of expected product are isolated in the form of a solid. (quantitative yield) EIMS ([M+H]+): 323. RT=4.37 min (acetonitrile/water gradient from 30% to 90%-Method B).Preparation of Example 31:Example 31 was prepared according to the method described for Example 1, starting with 200 mg of resin (ii), 193 mg of urea (0.6 mmol, 3 eq.) and 66 mg of sodium cyanoborohydride (1 mmol; 5 eq.). After purification by preparative HPLC, 36.7 mg of product 31 are isolated. (yield=34%). EIMS ([M+H]+): 433. RT=4.64 min (acetonitrile/water gradient from 5% to 85%-Method B).

References: [1]Patent: US2009/291984,2009,A1 .Location in patent: Page/Page column 20.

31
[ 6398-87-4 ]
[ 138229-59-1 ]
[ 952479-77-5 ]

References: [1]Journal of Medicinal Chemistry,2009,vol. 52,p. 7170 - 7185.

32
[ 6398-87-4 ]
[ 501-53-1 ]
[ 1224886-45-6 ]

References: [1]Chemistry Letters,2010,vol. 39,p. 228 - 229.
[2]Synthetic Communications,2011,vol. 41,p. 2674 - 2683.

33
[ 1257310-86-3 ]
[ 6398-87-4 ]

References: [1]Tetrahedron Letters,2010,vol. 51,p. 5984 - 5987.

34
[ 6398-87-4 ]
[ 30766-03-1 ]
[ 1262044-08-5 ]
[ 1262044-07-4 ]

Yield	Reaction Conditions	Operation in experiment
	With 4-methyl-morpholine; HATU; In N,N-dimethyl-formamide; at 20℃; for 0.5h;	Step 1: A solution of <strong>[6398-87-4]3-(1,3-dioxolan-2-yl)aniline</strong> (3.26 g, 19.7 mmol), 4-bromopicolinic acid (4.38 g, 21.7 mmol), (2-(7-Aza-1H-benzotriazole-1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate (HATU) (8.99 g, 23.6 mmol), and N-methylmorpholine (2.6 mL, 23.6 mmol) in N,N-dimethylformamide was stirred at room temperature for 30 minutes. The solvent was removed under reduced pressure, and the residue was purified by flash chromatography (1:1 Hexanes/ethyl acetate) to afford a mixture of N-(3-(1,3-dioxolan-2-yl)phenyl)-4-bromopicolinamide acetal and the corresponding aldehyde (5.56 g, ~81% yield, contains ~15% aldehyde). M+1=349.1

References: [1]Patent: US2011/9410,2011,A1 .Location in patent: Page/Page column 75-76.

35
[ 6398-87-4 ]
[ 97511-05-2 ]
[ 13716-12-6 ]
[ 1353720-54-3 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium t-butanolate; In hexane; ethyl acetate; toluene;	Synthesis of N-(3-(1,3-dioxolan-2-yl)phenyl)dibenzo[b,d]thiophen-4-amine A clean and dry 1000 ml round bottom flask equipped with a reflux condenser, magnetic stir bar, and thermometer with adapter was prepared and purged with nitrogen. A solution of 4-bromodibenzo[b,d]thiophene (RS-1-170, 10.7 g, 0.0407 mol) in anhydrous toluene (500.0 ml) was then prepared and transferred to the reaction flask via cannula. <strong>[6398-87-4]3-aminobenzaldehyde ethylene acetal</strong> (8.1 g, 0.0488 mol) was added by syringe. The reaction solution was purged with a strong nitrogen flow for 20 minutes. Sodium tert-butoxide (5.86 g, 0.0610 mol) and Pd2dba3 (1.10 g, 0.0012 mol) were then added manually, followed by the addition of tri-tert-butylphosphine (0.65 g, 0.0032 mol) in toluene (-10 ml) via syringe. The vessel was heated to reflux for approximately 2 hours. The reaction was then cooled to room temperature and filtered through a Celite and silica gel pad. Solvent was removed by rotary evaporation. The crude material was dissolved in a 2:1 hexane/ethyl acetate solution purified by flash column chromatography using a gradient elution system of ethyl acetate/hexane. This provided pure product confirmed by NMR.

References: [1]Patent: US2012/1127,2012,A1 .

Historical Records

Technical Information

• Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Hydride Reductions • Leuckart-Wallach Reaction • Mannich Reaction • Petasis Reaction • Preparation of Amines • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Specialized Acylation Reagents-Vilsmeier Reagent • Ugi Reaction

Related Functional Groups of
[ 6398-87-4 ]

Aryls

A872012 [19073-14-4]

4-(1,3-Dioxolan-2-yl)aniline

Similarity: 0.97

A389321 [400744-41-4]

4'-(1,3-Dioxolan-2-yl)-[1,1'-biphenyl]-4-amine

Similarity: 0.92

A493559 [26908-34-9]

2-(1,3-Dioxolan-2-yl)aniline

Similarity: 0.90

A540657 [53663-37-9]

3-(Dimethoxymethyl)aniline

Similarity: 0.89

A943953 [168551-56-2]

3-(1,3-Dioxan-2-yl)aniline

Similarity: 0.88

Amines

A872012 [19073-14-4]

4-(1,3-Dioxolan-2-yl)aniline

Similarity: 0.97

A389321 [400744-41-4]

4'-(1,3-Dioxolan-2-yl)-[1,1'-biphenyl]-4-amine

Similarity: 0.92

A493559 [26908-34-9]

2-(1,3-Dioxolan-2-yl)aniline

Similarity: 0.90

A540657 [53663-37-9]

3-(Dimethoxymethyl)aniline

Similarity: 0.89

A943953 [168551-56-2]

3-(1,3-Dioxan-2-yl)aniline

Similarity: 0.88

Related Parent Nucleus of
[ 6398-87-4 ]

Dioxolanes

A872012 [19073-14-4]

4-(1,3-Dioxolan-2-yl)aniline

Similarity: 0.97

A389321 [400744-41-4]

4'-(1,3-Dioxolan-2-yl)-[1,1'-biphenyl]-4-amine

Similarity: 0.92

A493559 [26908-34-9]

2-(1,3-Dioxolan-2-yl)aniline

Similarity: 0.90

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
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

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

{[proInfo.proName]}

CAS No.: 6398-87-4

{[proInfo.proName]}