[ CAS No. 6003-05-0 ] {[proInfo.proName]}

Name: 6003-05-0|(S)-2-Aminopropanoic acid hydrochloride|97%
Brand: Ambeed
SKU: A392150
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Quality Control of [ 6003-05-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 6003-05-0 ]

Product Details of [ 6003-05-0 ]

CAS No. :	6003-05-0	MDL No. :	MFCD03791086
Formula :	C₃H₈ClNO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ILYVXUGGBVATGA-DKWTVANSSA-N
M.W :	125.55	Pubchem ID :	165389
Synonyms :

Calculated chemistry of [ 6003-05-0 ]

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	27.98
TPSA :	63.32 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.6 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-2.16
Log Po/w (WLOGP) :	0.22
Log Po/w (MLOGP) :	-2.61
Log Po/w (SILICOS-IT) :	-1.04
Consensus Log Po/w :	-1.12

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.81
Solubility :	808.0 mg/ml ; 6.43 mol/l
Class :	Highly soluble
Log S (Ali) :	1.36
Solubility :	2880.0 mg/ml ; 22.9 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	0.77
Solubility :	738.0 mg/ml ; 5.87 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.15

Safety of [ 6003-05-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 6003-05-0 ]

* 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.

Upstream synthesis route of [ 6003-05-0 ]
Downstream synthetic route of [ 6003-05-0 ]

[ 6003-05-0 ] Synthesis Path-Upstream 1~14

1
[ 6003-05-0 ]
[ 67-63-0 ]
[ 39825-33-7 ]

Yield	Reaction Conditions	Operation in experiment
87%	at 0 - 20℃;	SOCl2 (29 mL, 400 mmol) was added dropwise at 0 00 to a suspension of the HCI salt of Lalanine (17.8 g, 200 mmol) in isopropanol (700 mL). The suspension was stirred at room temperature over night, then concentrated, which gave the title compound (29.2 g, 87percent).
87%	at 0 - 20℃;	SOCI₂ (29 mL, 400 mmol) was added dropwise at 0 °C to a suspension of the HCI salt of L- alanine (17.8 g, 200 mmol) in isopropanol (700 mL). The suspension was stirred at room temperature over night, then concentrated, which gave the title compound (29.2 g, 87percent).

Reference： [1] Patent: WO2015/34420, 2015, A1, . Location in patent: Page/Page column 64
[2] Patent: WO2016/30335, 2016, A1, . Location in patent: Page/Page column 47

2
[ 67-56-1 ]
[ 6003-05-0 ]
[ 2491-20-5 ]

Yield	Reaction Conditions	Operation in experiment
86%	at -10 - 20℃; for 16 h;	General procedure: For the synthesis of compounds 2a, 2c–2g, we used slightly modificated known procedure [1]. To a stirred solution of amino acid (32.2mmol) in dry methanol (100mL) was added drop-wise thionyl chloride (64.4mmol). The temperature was kept between−10 and−5°C. After complete addition, the reaction was stirred at RT overnight. After 16h, the solution was evaporated to dryness. The product was diluted with EtOAc and collected by filtration. The residue was dried under reduced pressure to give an amino acid methyl ester hydrochloride as white crystalline powder. The yields were higher in all experiments than 80percent. Melting point and ¹H as well as ¹³C NMR spectra in D₂O were used for characterization of the prepared compounds. The data are in good agreement with literature data [20].

Reference： [1] European Journal of Medicinal Chemistry, 2013, vol. 68, p. 253 - 259
[2] Tetrahedron Letters, 1998, vol. 39, # 47, p. 8563 - 8566

3
[ 56-41-7 ]
[ 6003-05-0 ]

Reference： [1] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1987, p. 323 - 328
[2] Journal of Physical Chemistry B, 2010, vol. 114, # 37, p. 12157 - 12161
[3] Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2015, vol. 136, # PB, p. 743 - 750
[4] Journal of Molecular Structure, 2018, vol. 1163, p. 428 - 441

4
[ 1334715-65-9 ]
[ 17585-69-2 ]
[ 6003-05-0 ]
[ 7776-34-3 ]

Reference： [1] Tetrahedron, 2011, vol. 67, # 37, p. 7085 - 7089

5
[ 7585-47-9 ]
[ 6003-05-0 ]

Reference： [1] Journal of the American Chemical Society, 1989, vol. 111, # 16, p. 6301 - 6311

6
[ 226387-97-9 ]
[ 6003-05-0 ]

Reference： [1] Tetrahedron Asymmetry, 1999, vol. 10, # 3, p. 493 - 509

7
[ 1186048-83-8 ]
[ 6000-43-7 ]
[ 17585-69-2 ]
[ 6003-05-0 ]
[ 17694-98-3 ]
[ 7776-34-3 ]

Reference： [1] Tetrahedron, 2009, vol. 65, # 34, p. 7171 - 7176

8
[ 3082-75-5 ]
[ 6003-05-0 ]

Reference： [1] Tetrahedron, 1988, vol. 44, # 17, p. 5541 - 5552

9
[ 131968-99-5 ]
[ 6003-05-0 ]

Reference： [1] Tetrahedron Letters, 1990, vol. 31, # 44, p. 6412 - 6416

10
[ 15761-38-3 ]
[ 124-38-9 ]
[ 1529-17-5 ]
[ 6003-05-0 ]
[ 115-11-7 ]

Reference： [1] Tetrahedron Letters, 1988, vol. 29, # 3, p. 303 - 306

11
[ 15180-22-0 ]
[ 17585-69-2 ]
[ 6003-05-0 ]

Reference： [1] Bioscience, Biotechnology and Biochemistry, 2012, vol. 76, # 6, p. 1116 - 1121

12
[ 1803-60-7 ]
[ 17498-50-9 ]
[ 6003-05-0 ]

Reference： [1] Bioscience, Biotechnology and Biochemistry, 2012, vol. 76, # 6, p. 1116 - 1121

13
[ 110449-46-2 ]
[ 6003-05-0 ]

Reference： [1] Helvetica Chimica Acta, 1986, vol. 69, p. 1923 - 1926

14
[ 13515-97-4 ]
[ 6003-05-0 ]
[ 16428-74-3 ]

Reference： [1] Tetrahedron Asymmetry, 1997, vol. 8, # 22, p. 3719 - 3733

[ 6003-05-0 ] Synthesis Path-Downstream 1~47

1
[ 500-22-1 ]
[ 67-56-1 ]
[ 6003-05-0 ]
[ 113370-58-4 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1987,p. 2285 - 2296

2
[ 67-56-1 ]
[ 5344-23-0 ]
[ 6003-05-0 ]
[ 113370-78-8 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1987,p. 2285 - 2296

3
[ 17455-13-9 ]
[ 6003-05-0 ]
[ 111652-23-4 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions II,1987,p. 323 - 328

4
[ 56-41-7 ]
[ 6003-05-0 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions II,1987,p. 323 - 328
[2]Journal of Physical Chemistry B,2010,vol. 114,p. 12157 - 12161
[3]Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,2015,vol. 136,p. 743 - 750

5
[ 3082-75-5 ]
[ 6003-05-0 ]

Reference： [1]Tetrahedron,1988,vol. 44,p. 5541 - 5552

6
[ 15761-38-3 ]
[ 124-38-9 ]
[ 1529-17-5 ]
[ 6003-05-0 ]
[ 115-11-7 ]

Reference： [1]Tetrahedron Letters,1988,vol. 29,p. 303 - 306

7
[ 112-30-1 ]
[ 6003-05-0 ]
[ 59441-23-5 ]

Reference： [1]Pharmaceutical Chemistry Journal,1984,vol. 18,p. 708 - 711
Khimiko-Farmatsevticheskii Zhurnal,1984,vol. 18,p. 1214 - 1217

8
[ 112-30-1 ]
[ 6003-05-0 ]
[ 59441-23-5 ]

Reference： [1]Pharmaceutical Chemistry Journal,1984,vol. 18,p. 708 - 711
Khimiko-Farmatsevticheskii Zhurnal,1984,vol. 18,p. 1214 - 1217

9
[ 7585-47-9 ]
[ 6003-05-0 ]

Reference： [1]Journal of the American Chemical Society,1989,vol. 111,p. 6301 - 6311

10
[ 6003-05-0 ]
[ 18409-49-9 ]

Reference： [1]Tetrahedron,1987,vol. 43,p. 891 - 894

11
[ 131968-99-5 ]
[ 6003-05-0 ]

Reference： [1]Tetrahedron Letters,1990,vol. 31,p. 6412 - 6416

12
[ 110449-46-2 ]
[ 6003-05-0 ]

Reference： [1]Helvetica Chimica Acta,1986,vol. 69,p. 1923 - 1926

13
[ 71-23-8 ]
[ 6003-05-0 ]
[ 407-25-0 ]
[ 407-23-8 ]

Reference： [1]Tetrahedron,1988,vol. 44,p. 5541 - 5552

14
[ 1421-69-8 ]
[ 6003-05-0 ]
[ 24960-20-1 ]

Reference： [1]Tetrahedron,1994,vol. 50,p. 6333 - 6346

15
[ 80-97-7 ]
[ 6003-05-0 ]
L-Alanin-cholestanolester [ No CAS ]

Reference： [1]Bulletin of the Chemical Society of Japan,1967,vol. 40,p. 1650 - 1655

16
[ 13515-97-4 ]
[ 6003-05-0 ]
[ 16428-74-3 ]

Reference： [1]Tetrahedron Asymmetry,1997,vol. 8,p. 3719 - 3733

17
[ 67-56-1 ]
[ 6003-05-0 ]
[ 2491-20-5 ]

Yield	Reaction Conditions	Operation in experiment
96%	With thionyl chloride; at 0℃;	General procedure: L-amino acids hydrochlorides 4a-e (0.05 mol) in dry methanol 50 mL were converted into the corresponding methyl esters 5a-e in quantitative yields by slowly adding fresh thionyl chloride (0.1 mol) at 0C and then the mixture was stirred for 4 h. After completion of the reaction, the solvent was evaporated and the product was crystallized from dry diethyl ether. (S)-Methyl 2-aminopropanoate hydrochloride (5a): white solid, yield 96%, m.p.: 107-109C (lit. 109-111C).34 [alpha](25/D)+ 8.3 (c 1.5, CH3OH) [lit. [alpha](20/D)+ 7.0 (c 1.6, CH3OH)].34
86%	With thionyl chloride; at -10 - 20℃; for 16h;	General procedure: For the synthesis of compounds 2a, 2c-2g, we used slightly modificated known procedure [1]. To a stirred solution of amino acid (32.2mmol) in dry methanol (100mL) was added drop-wise thionyl chloride (64.4mmol). The temperature was kept between-10 and-5C. After complete addition, the reaction was stirred at RT overnight. After 16h, the solution was evaporated to dryness. The product was diluted with EtOAc and collected by filtration. The residue was dried under reduced pressure to give an amino acid methyl ester hydrochloride as white crystalline powder. The yields were higher in all experiments than 80%. Melting point and 1H as well as 13C NMR spectra in D2O were used for characterization of the prepared compounds. The data are in good agreement with literature data [20].

Reference： [1]Journal of Chemical Research,2020,vol. 44,p. 161 - 166
[2]European Journal of Medicinal Chemistry,2013,vol. 68,p. 253 - 259
[3]Tetrahedron Letters,1998,vol. 39,p. 8563 - 8566

18
[ 226387-97-9 ]
[ 6003-05-0 ]

Reference： [1]Tetrahedron Asymmetry,1999,vol. 10,p. 493 - 509

19
[ 2824-46-6 ]
[ 6003-05-0 ]
[ 184222-98-8 ]

Reference： [1]Journal of Organic Chemistry,2000,vol. 65,p. 2309 - 2318

Yield	Reaction Conditions	Operation in experiment
68%		L-Alanine Hydrochloride (BCH-1365) STR21 Triethylamine (0.317 mL; 2.28 mmole) was added dropwise to a solution of the octadecyl ester of BOC-D-alanyl L-Glutamine (1 g; 1.75 mmole) in dry tetrahydrofuran (60 ml). The mixture was stirred under a flow of argon for a few minutes after which trifluoroacetic anhydride (0.32 ml; 2.28 mmole) was added over twenty minutes. The reaction was then left at room temperature for eighteen hours. Solvent was removed by rotary evaporation and the crude product taken up in methylene chloride (30 ml). The solution was extracted with 0.5N hydrochloric acid (250 ml), 5% sodium bicarbonate (250 ml) and brine (2*50 ml). The organic phase was then dried with anhydrous sodium sulfate. The crude. octadecyl ester was purified by flash silica gel chromatography using 2:3 ethyl acetate/hexane as eluent. Yield of the product was 0.66 g; 1.19 mmole; 68% yield. The product was identified by 300 MHz NMR spectroscopy and TLC (Rf=0.4 ethyl acetate/hexane 3:7). The product could be alternatively purified by crystallization in methylene chloride/hexane.
61%		L-Alanine Hydrochloride (BCH-1375) STR22 Lawesson's reagent (235 mg; 0.58 mmole) was added to a solution of octadecyl-BOC-D-alanyl-beta-cyanomethyl-L-alanine (320 mg; 0.58 mmole) in dry tetrahydrofuran (45 ml) under a flow of argon. The reaction was heated under reflux for 4 hours. Solvent was removed by rotary evaporation and the crude product taken up in methylene chloride (45 ml). The solution was extracted with 5% sodium bicarbonate (350 ml); 0.5N hydrochloric acid (250 ml) and brien (2*50 ml). The organic layer was then dried with anhydrous sodium sulfate. The crude material was purified by flash silica gel chromatography using 3:7 ethyl acetate/hexane as eluent. Yield of the product was 200 mg; 0.352 mmole; 61% yield. The product was identified by 300 MHz NMR spectroscopy and by TLC (Rf=0.52 ethyl acetate/hexane 3:7).

21
[ 117049-08-8 ]
CH₃MgX [ No CAS ]
[ 6003-05-0 ]
[ 16428-74-3 ]

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

22
[ 32315-10-9 ]
[ 6003-05-0 ]
[ 2224-52-4 ]

Reference： [1]Synthetic Communications,2001,vol. 31,p. 2169 - 2175

23
[ 6003-05-0 ]
[ 172965-73-0 ]
C₆₇H₆₉N₉O₁₄ [ No CAS ]

Reference： [1]Chemical and pharmaceutical bulletin,2002,vol. 50,p. 771 - 780

24
4-(3-fluoro-benzyloxy)-benzene-1,2-dicarbaldehyde [ No CAS ]
[ 6003-05-0 ]
(S)-2-[6-(3-fluoro-benzyloxy)-1-oxo-1,3-dihydro-isoindol-2-yl]-propionamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
25%	In dichloromethane; at 0 - 50℃; for 2h;	To a cooled [(0C)] solution [OF 4- (3-FLUORO-BENZYLOXY)-BENZENE-1,] 2-dicarbaldehyde (271.0 mg, 1.05 mmol) in dichlormethane (5 mL) [H-ALA-NH2] HCl (184.9 mg, 2.10 mmol) was added and the resulting mixture was warmed up to RT over 1 h and then heated at [50C] for 1 h. After cooling to RT, the mixture was evaporated and the residue partioned between ethyl acetate and hydrochloric acid [(1] N). The organic layer was then dried over sodium sulfate, filtered and evaporated to leave a clear oil which was purified by chroma- tography [(SI02,] dichloromethane: [MEOH] 9: 1) to afford the title product (87 mg, 25%) as a light brown solid. MS m/e = 329.2 [(M+H+).]

Reference： [1]Patent: WO2004/14856,2004,A1 .Location in patent: Page 16

25
[ 847405-97-4 ]
[ 6003-05-0 ]
[ 847406-01-3 ]

Yield	Reaction Conditions	Operation in experiment
61%	With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In DMF (N,N-dimethyl-formamide); for 24h;	To a stirred solution of 1E in DMF (6 ML) was added L-ALANINE HC1 (0. 0507 g, 0.363 mmol), HOBt. H20 (0.0490 g, 0. 363 MMOL), NMM (0.04 ML, 0.363 MMOL), and diisopropyl ethylamin (0.0367 g, 0.363 mmol). After stirring for 5 min, EDCI (0.0564 g, 0.363 mmol) was added and the mixture was stirred for 24 h. Next, 20 mL water was added and the mix- ture extracted with EtOAc (3X15 ML), THE COMBINED organic phases were dried over sodium sulfate,. filtered, and concentrated to obtain the product (0. 242 mmol, 61%) as an off-white solid, 1H NMR (DIS, 400 MHz) 5 8. 23 (d, J=5.08 Hz, 1H), 7.48 (M, 1H), 7.26 (T, J=7. 61 Hz, 1H), 7.2 (m, 1H), 6.66 (s, 1H), 6.63 (m, 1H),. 6.14 (d, J=7.03 Hz, 1H), 4. 61 (m, 1H), 4.37 (M, 2H), 3.76 (s, 3H), 2.93 (m, 2H), 2.4 (m, 1H), 1.94 (m, 2H), 1.79 (m, 2H), 1.41 (d, J=7.03 Hz, 3H).

Reference： [1]Patent: WO2005/19200,2005,A2 .Location in patent: Page/Page column 93

26
[ 5586-92-5 ]
[ 6003-05-0 ]
(2S)-2-[(S)-2-[4-(benzyloxy)-phenyl]-1-methyl-ethylamino]-propionamide hydrochloride [ No CAS ]
(2S)-2-[(R)-2-[4-(benzyloxy)-phenyl]-1-methyl-ethylamino]-propionamide hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Example 104: (2S)-2-[2-[(4-Benzyloxy)-phenyl]-l-methyl-ethylamino]-propionamide hydrochloride; The above compound was synthesized according to Scheme 25; 3.0 g (25 mmol) of <strong>[6003-05-0]L-alanine hydrochloride</strong>, 3 g (12.5 mmol) of l-[(4-benzyloxy)-phenyl]- propan-2-one, 1.33 g (12.5 mmol) Of Na2CO3 and 2 g of 4 A molecular sieves in 150 ml of methanol were stirred at 40 0C for 2 hours under nitrogen. 0. 63 g (9.60 mmol) Of NaBH3CN were then added at room temperature and the mixture was stirred at room temperature overnight an. The vessel content was filtered, the solid was washed with methanol, the organic filtrated concentrated to a small volume and the residue was passed on a flash chromatography (chloroform/methanol/NH3 95:5:0.5 v:v:v). 2.94 g (58% yield) of a 7:3 diastereoisomeric mixture of the title compound was obtained by crystallizeation from ethyl acetate. 1H-NMR CDC13+CF3COOD 7.40 (m, 5H); 7.05 (m, 4H); 5.06 (s, 2H); 4.20 (m, IH); 3.70-2.60 (m, 3H); 1.55 (d, 3H, J=7Hz); 1.30 (d, 3H, J=6Hz).

Reference： [1]Patent: WO2007/71311,2007,A1 .Location in patent: Page/Page column 76-77

27
[ 1186048-83-8 ]
[ 6000-43-7 ]
[ 17585-69-2 ]
[ 6003-05-0 ]
[ 17694-98-3 ]
[ 7776-34-3 ]

Reference： [1]Tetrahedron,2009,vol. 65,p. 7171 - 7176

28
C₁₆H₁₄O₂S [ No CAS ]
[ 6003-05-0 ]
C₁₉H₁₉NO₃S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		To a solution of compound D (2 g, 7.35 mmol) in DMF (10 mL) at room temperature was successively added 2-(1H-benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate (?TBTU?)(1.2 eqv) and N-methylmorpholine (?NMM?)(1 mL). The mixture was stirred for 10 min, treated dropwise with a mixture of alanine hydrochloride (1.37 g, 11 mmol) and NMM (2 mL) in DMF (15 ml) and stirred overnight. The reaction mixture was then diluted with water and extracted with ethyl acetate (3×50 mL). The combined organic layers were washed with water (3×20 mL), brine (1×20 mL), dried (MgSO4) and concentrated to give a crude solid that, on trituration with ether, generated 2.50 g of product: 1H-NMR (DMSO-d6): delta 7.60-7.10 (m, 8H), 7.00 (s, 1H), 6.80 (s, 1H), 3.70 (m, 1H), 2.30 (m, 2H), 2.20 (s, 1H), 1.50 (s, 3H), 0.80 (d, 3H).

Reference： [1]Patent: US2005/234040,2005,A1 .Location in patent: Page/Page column 17-18

29
[ 1334715-65-9 ]
[ 17585-69-2 ]
[ 6003-05-0 ]
[ 7776-34-3 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; water; at 110℃; for 20h;	General procedure: Compounds 1-3 (each 1 mg) were hydrolyzed in HCl (6 N; 1 mL) for 20 h at 110 °C. The solution was then evaporated to dryness and redissolved in H2O (250 muL). A 1percent (w/v) solution (100 muL) of l-FDAA in acetone was added to an aliquot (50 muL) of the acid hydrolyzate solution. After addition of NaHCO3 solution (1 N; 20 muL) the mixture was incubated at 45 °C for 1 h. The reaction was then quenched by addition of HCl (2 N, 10 muL). Analyses of the FDAA-derivatized hydrolyzates of compounds 1-3 and standard FDAA-derivatized amino acids were carried out by HPLC (Waters 600E; solvents: A. water+0.2percent TFA, B. MeCN; linear gradient: 0-5 min, 15percent B; 5-50 min, 15-45percent B; 50-55 min, 45percent B; temperature, 30 °C; flow rate, 1 mL/min; UV detection at lambdamax 340 nm). Retention times (min) of the amino acids derivatives were as follows: l/d-Ala, tR 29.6/34.4 min; l/d-Pro, tR 30.6/32.3 min; l/d-Phe, tR 40.8/51.2 min. The derivatized hydrolyzates of 1-3 showed peaks designated as l-Ala, l-Pro, and l-Phe. All amino acids of these cyclopeptides were established as l-configuration.

Reference： [1]Tetrahedron,2011,vol. 67,p. 7085 - 7089

30
[ 6003-05-0 ]
[ 16480-55-0 ]

Reference： [1]Beilstein Journal of Organic Chemistry,2011,vol. 7,p. 1304 - 1309

31
[ 15180-22-0 ]
[ 17585-69-2 ]
[ 6003-05-0 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,2012,vol. 76,p. 1116 - 1121

32
[ 1803-60-7 ]
[ 17498-50-9 ]
[ 6003-05-0 ]

Reference： [1]Bioscience, Biotechnology and Biochemistry,2012,vol. 76,p. 1116 - 1121

33
[ 13734-34-4 ]
[ 6003-05-0 ]
[ 15136-29-5 ]

Reference： [1]Organic Letters,2012,vol. 14,p. 4910 - 4913,4

34
[ 6003-05-0 ]
[ 2749-11-3 ]

Reference： [1]Journal of Polymer Science, Part A: Polymer Chemistry,2012,vol. 50,p. 5134 - 5143

35
[ 28920-43-6 ]
[ 6003-05-0 ]
[ 35661-39-3 ]

Reference： [1]Journal of Organic Chemistry,2012,vol. 77,p. 10575 - 10582

36
[ 50-00-0 ]
[ 14717-29-4 ]
[ 6003-05-0 ]
(S)-2-[(dicyclohexylphosphorylmethyl)amino]-propanoic acid [ No CAS ]

Reference： [1]Russian Journal of Organic Chemistry,2014,vol. 50,p. 596 - 598
Zh. Org. Khim.,2014,vol. 50,p. 607 - 609,3

37
[ 6003-05-0 ]
[ 67-63-0 ]
[ 39825-33-7 ]

Yield	Reaction Conditions	Operation in experiment
87%	With thionyl chloride; at 0 - 20℃;	SOCl2 (29 mL, 400 mmol) was added dropwise at 0 00 to a suspension of the HCI salt of Lalanine (17.8 g, 200 mmol) in isopropanol (700 mL). The suspension was stirred at room temperature over night, then concentrated, which gave the title compound (29.2 g, 87%).
87%	With thionyl chloride; at 0 - 20℃;	SOCI2 (29 mL, 400 mmol) was added dropwise at 0 C to a suspension of the HCI salt of L- alanine (17.8 g, 200 mmol) in isopropanol (700 mL). The suspension was stirred at room temperature over night, then concentrated, which gave the title compound (29.2 g, 87%).
87%	With thionyl chloride; at 0 - 20℃;	HCl salt of L-alanine (17.8 g, 200 mmol) in isopropanol (700 mL) at 0 CTo the suspension was added dropwise SOCl2 (29 mL, 400 mmol).The suspension was stirred at room temperature overnight and then concentrated, which gave the title compound (29.2 g, 87%)

Reference： [1]Patent: WO2015/34420,2015,A1 .Location in patent: Page/Page column 64
[2]Patent: WO2016/30335,2016,A1 .Location in patent: Page/Page column 47
[3]Patent: TW2018/15396,2018,A .Location in patent: Page/Page column 76; 77

38
[ 50-00-0 ]
[ 3011-82-3 ]
[ 6003-05-0 ]
[ 1436864-46-8 ]

Yield	Reaction Conditions	Operation in experiment
92%		General procedure: A mixture of 22.5 mmol of amino acid hydrochloride and 0.290 g (1.1 mmol) of dibenzo-18-crown-6 in 20 mL of methanol was heated for 1 h under reflux. The mixture was cooled, the solvent was evaporated under reduced pressure, and 80 mL of benzene, 23.6 mmol (0.709 g) of paraformaldehyde, 22.5 mol of dialkylphosphine oxide, and 1.1 mol of p-toluenesulfonic acid were added to the residue. The mixture was heated on a water bath for 24 h with simultaneous removal of water as benzene-water azeotrope. The mixture was cooled and filtered through a Schott filter, the precipitate was washed with chloroform on a filter, and the solvent was removed from the filtrate under reduced pressure (water-jet pump). The residue was dissolved in 30 mL of petroleum ether on heating, the solution was cooled, the precipitate of dibenzo-18-crown-6 was filtered off, and the crude product was purified by dry-column flash chromatography.

Reference： [1]Russian Journal of Organic Chemistry,2015,vol. 51,p. 1232 - 1244
Zh. Org. Khim.,2015,vol. 91,p. 1256 - 1270

39
[ 50-00-0 ]
[ 3011-82-3 ]
[ 6003-05-0 ]
(S)-N,N-bis[(dioctylphosphoryl)methyl]-α-alanine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
92%	With hydrogenchloride; In water; acetonitrile; for 3h;Reflux;	General procedure: A mixture of 20 mmol of dioctyl- or didecylphosphine oxide, 0.630 g (21 mmol) of paraformaldehyde, 10 mmol of (S)-alpha-alanine, (S)-leucine, (S)-beta-phenyl-alpha-alanine, (S)-aspartic acid, (S)-glutamic acid, glycylglycine, or (S)-serine hydrochloride or 20 mmol of 2,2?-iminodiacetic acid, (S)-valine, (S)-beta-proline, or (S)-threonine hydrochloride, and 0.2 mL of concentrated aqueous HCl in 100 mL of acetonitrile was heated for 3 h under reflux with stirring. The mixture was cooled and evaporated under reduced pressure (water-jet pump), the oily residue was dissolved in benzene, the solution was washed with water until neutral washings and dried over magnesium sulfate, and the solvent was removed under reduced pressure (water-jet pump). The residue was purified by dry-column flash chromatography.

Reference： [1]Russian Journal of Organic Chemistry,2015,vol. 51,p. 1232 - 1244
Zh. Org. Khim.,2015,vol. 91,p. 1256 - 1270

40
[ 50-00-0 ]
[ 14717-29-4 ]
[ 6003-05-0 ]
(S)-N,N-bis[(dicyclohexylphosphoryl)methyl]-α-alanine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
85%	With hydrogenchloride; In water; acetonitrile; for 3h;Reflux;	General procedure: A mixture of 20 mmol of dioctyl- or didecylphosphine oxide, 0.630 g (21 mmol) of paraformaldehyde, 10 mmol of (S)-alpha-alanine, (S)-leucine, (S)-beta-phenyl-alpha-alanine, (S)-aspartic acid, (S)-glutamic acid, glycylglycine, or (S)-serine hydrochloride or 20 mmol of 2,2?-iminodiacetic acid, (S)-valine, (S)-beta-proline, or (S)-threonine hydrochloride, and 0.2 mL of concentrated aqueous HCl in 100 mL of acetonitrile was heated for 3 h under reflux with stirring. The mixture was cooled and evaporated under reduced pressure (water-jet pump), the oily residue was dissolved in benzene, the solution was washed with water until neutral washings and dried over magnesium sulfate, and the solvent was removed under reduced pressure (water-jet pump). The residue was purified by dry-column flash chromatography.

Reference： [1]Russian Journal of Organic Chemistry,2015,vol. 51,p. 1232 - 1244
Zh. Org. Khim.,2015,vol. 91,p. 1256 - 1270

41
[ 201740-78-5 ]
[ 6003-05-0 ]
[1-¹³C]N-Boc-Ala-Ala-OMe [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2016,vol. 55,p. 1765 - 1768
Angew. Chem.,2016,vol. 128,p. 1797 - 1800,4

42
Boc-Goly-Val-OMe [ No CAS ]
[ 6003-05-0 ]
Boc-Goly-Val-Ala-OMe [ No CAS ]

Reference： [1]Journal of Peptide Science,2016,vol. 22,p. 228 - 235

43
[ 112-05-0 ]
[ 6003-05-0 ]
methyl 2-(nonanoylamino)propanoate [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2017,vol. 56,p. 10324 - 10329
Angew. Chem.,2017,vol. 56,p. 10460 - 10465,6

44
2-[({(R)-[(9H-fluoren-9-yl)methoxycarbonyl]amino}phenylmethyl)(adamantan-1-yloxy)phosphoryl]methyl}acrylic acid [ No CAS ]
[ 6003-05-0 ]
(9H-fluoren-9-yl)methyl [(R)-((adamantan-1-yloxy){2-[((S)-1-amino-1-oxopropan-2-yl)carbamoyl]allyl}phosphoryl)(phenyl)methyl]carbamate [ No CAS ]

Reference： [1]Organic Letters,2019,vol. 21,p. 4397 - 4401

45
C₃₁H₄₅FO₄ [ No CAS ]
[ 6003-05-0 ]
methyl 3,4-seco-3-N-methyalaninamido-11-oxo-olean-4⁽²³⁾,12-dien-30-oate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
61%	With triethylamine; In dichloromethane; at 20℃; for 1h;	General procedure: To a solution of compound5 (300 mg, 0.60 mmol) in dichloromethane (8 mL), Deoxo-Fluor (50% in THF, 0.52 mL, 1.20 mmol) wasadded and the reaction mixture was stirred, at room temperature, for 2.5 h, after which additionalDeoxo-Fluor (50% in THF, 0.26 mL, 0.60 mmol) was added. After 2 h, the reaction was completed.The reaction mixture was quenched by addition of water (2 mL). The organic layer was diluted withchloroform (40 mL), washed with water (2 30 mL), dried over Na2SO4, filtered and evaporated to thedryness (280 mg, 93%). The residue was dissolved in dichloromethane (6 mL) and glycine methyl esterhydrochloride (105 mg, 0.84 mmol) and triethylamine (0.15 mL, 1.12 mmol) were added. After 1 hunder magnetic stirring at room temperature, the reaction was completed. The reaction mixture wasevaporated to dryness and ethyl acetate (40 mL) and water (30 mL) were added to the residue. Theaqueous phase was further extracted with ethyl acetate (2 40 mL). The combined organic phase waswashed with 5% aqueous HCl (2 30 mL), 10% aqueo+us NaHCO3 (2 30 mL), water (30 mL) andbrine (30 mL), dried over Na2SO4, filtered and the solvent was removed under reduced pressure toaord a white solid. The solid was purified by flash column chromatography (FCC) with petroleumether/ethyl acetate (2:1) to afford compound 6 as a white solid (69%).

Reference： [1]Molecules,2019,vol. 24

46
methyl 3,4-seco-30-fluorcarbonyl-11-oxo-olean-4⁽²³⁾,12-dien-3-oate [ No CAS ]
[ 6003-05-0 ]
methyl 3,4-seco-30-N-methylalaninamido-11-oxo-olean-4⁽²³⁾,12-dien-3-oate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
83%	With triethylamine; In dichloromethane; at 20℃;	General procedure: To a solution of compound12 (300 mg, 0.60 mmol) and alanine methyl ester hydrochloride (251 mg, 1.80 mmol) in dichloromethane(8 mL), triethylamine (0.33 mL, 2.40 mmol) was added and the reaction mixture was stirred, at roomtemperature, for 8 h, after which additional dichloromethane (1 mL) and triethylamine (0.17 mL, 1.20mmol) were added. After 16 h, the reaction was completed. The workup was performed as describedfor compound 14. The solid was subjected to FCC with petroleum ether/ethyl acetate (1:2) to aordcompound 16 as a white solid (83%). m.p.: 130-132 C. 1H NMR (400 MHz, CDCl3): 6.15 (1H, m,NH), 5.77 (1H, s, H-12), 4.89 (1H, br s, H-23), 4.69 (1H, br s, H-23), 4.62 (1H, m, -NCH(CH3)-), 3.76 (3H,s, COOCH3), 3.61(3H, s, COOCH3), 1.75 (3H, s), 1.39 (6H, m), 1.17 (3H, s), 1.16 (3H, s), 1.14 (3H, s), 0.82(3H, s). 13C NMR (100 MHz, CDCl3): 199.7 (C11), 175.4, 174.5, 173.7, 169.5, 146.7, 128.6 (C12), 114.3(C23), 53.0, 52.7, 51.7, 51.0, 47.9 (2), 45.2, 43.8, 43.7, 42.1, 38.9, 37.5, 34.6, 32.0, 31.6, 31.5, 29.5, 29.4, 28.6,26.7, 26.5, 24.0, 23.6, 23.4, 19.7, 18.8, 18.6. ESI-MS m/z: 570.36 (17%), 584.36 ([M + H] +, 100%). Found C71.09, H 9.51, N 2.35, calcd for C35H53NO60.25H2O: C 71.46, H 9.17, N 2.38%

Reference： [1]Molecules,2019,vol. 24

47
methyl 3,4-seco-30-fluorcarbonyl-olean-4⁽²³⁾,12-dien-3-oate [ No CAS ]
[ 6003-05-0 ]
C₃₅H₅₅NO₅ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
48%	With triethylamine; In dichloromethane; at 20℃;	To a solution of compound 13(290 mg, 0.60 mmol) and alanine methyl ester hydrochloride (251 mg, 1.80 mmol) in dichloromethane (8 mL), triethylamine (0.33 mL, 2.40 mmol) was added and the reaction mixture was stirred, at roomtemperature, for 10 h, after which additional dichloromethane (2 mL) and triethylamine (0.17 mL, 1.20mmol) and alanine methyl ester hydrochloride (84 mg, 0.60 mmol) were added. After 24 h, the reactionwas completed. The work-up was performed as described for compound 15. The solid was purifiedby FCC with petroleum ether/ ethyl acetate (3:2) to aord compound 17 as a white solid (48%). m.p.:100-102 C. 1H NMR (400 MHz, CDCl3): 6.22 (1H, m, NH), 5.37 (1H, m, H-12), 4.87 (1H, br s, H-23),4.67 (1H, br s, H-23), 4.63 (1H, m, -NCH(CH3)-), 3.76 (3H, s, COOCH3), 3.65 (3H, s, COOCH3), 1.75(3H, s), 1.40 (3H, m, -NCH(CH3)-), 1.17 (3H, s), 1.11 (3H, s), 1.01 (3H, s), 0.94 (3H, s), 0.79 (3H, s). 13CNMR (100 MHz, CDCl3): 176.2, 174.7, 173.9, 147.6, 144.5, 122.7 (C12), 113.7 (C23), 52.6, 51.7, 50.6, 48.0,47.9, 44.0, 43.6, 42.2, 39.7, 39.3, 38.1, 38.0, 34.2, 32.2, 31.6, 31.5, 29.8, 28.6, 28.3, 27.0, 26.2, 25.9, 24.6, 23.9,23.6, 19.7, 18.7, 17.0. ESI-MS m/z: 570.33 ([M + H] +, 100%). Found C 73.04, H 9.94, N 2.45, calcd forC35H55NO50.25H2O: C 73.20, H 9.74, N 2.44%.

Reference： [1]Molecules,2019,vol. 24

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Ghs Precautionary Statements

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.
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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.
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P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

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. 6003-05-0 ] {[proInfo.proName]}

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[ 6003-05-0 ] Synthesis Path-Upstream 1~14

[ 6003-05-0 ] Synthesis Path-Downstream 1~47

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