Cas no 81025-83-4 ((R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester)

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester structure

81025-83-4 structure

Product Name:(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester

CAS No:81025-83-4

MF:C₆H₁₀O₄

MW:146.141202449799

MDL:MFCD00211259

CID:720921

PubChem ID:6398856

Update Time:2024-10-27

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Chemical and Physical Properties

Names and Identifiers

- (R)-4-Methoxy-2-methyl-4-oxobutanoic acid
- (2R)-4-methoxy-2-methyl-4-oxobutanoic acid
- (R)-(+)-2-Methylsuccinic acid 4-methyl ester
- Butanedioic acid,2-methyl-, 4-methyl ester, (2R)-
- 1-MonoMethyl (R)-(+)-3-Methylsuccinate
- (R)-(+)-3-METHYLSUCCINIC ACID 1-MONOMETHYL ESTER
- Butanedioic acid, methyl-, 4-methyl ester, (2R)- (9CI)
- Butanedioic acid, methyl-, 4-methyl ester, (R)- (ZCI)
- (R)-4-Methoxy-2-methyl-4-oxo-butanoic acid
- Methyl (R)-3-methylsuccinate
- 81025-83-4
- (2R)-methylsuccinic acid 4-monomethyl ester
- DTXSID50423220
- (R)-2-METHYLSUCCINIC ACID 4-METHYL ESTER
- (R)-4-Methoxy-2-methyl-4-oxobutanoicacid
- (R)-(+)-2-Methylsuccinic acid 4-methyl ester, 95%
- (R)-2-methyl-succinic acid 4-methyl ester
- CS-0186135
- SCHEMBL1183661
- UVQYBUYGFBXQGO-SCSAIBSYSA-N
- (R)-4-methoxy-2-methyl-4-oxobutyric acid
- DS-17873
- AKOS006378566
- (2R)-Methylbutanedioic Acid 4-Methyl Ester; (2R)-4-Methoxy-2-methyl-4-oxobutanoic Acid; (R)-4-Methoxy-2-methyl-4-oxo-butanoic Acid;
- C76592
- (R)?-?(+)?-?2-?Methylsuccinic acid 4-methyl ester
- MFCD00211259
- (R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester
- MDL： MFCD00211259
- Inchi： 1S/C6H10O4/c1-4(6(8)9)3-5(7)10-2/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
- InChI Key： UVQYBUYGFBXQGO-SCSAIBSYSA-N
- SMILES： C(C(=O)OC)[C@@H](C)C(=O)O

Computed Properties

Exact Mass: 146.05800
Monoisotopic Mass: 146.05790880g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 10
Rotatable Bond Count: 4
Complexity: 141
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Surface Charge: 0
Tautomer Count: nothing
XLogP3: 0.1
Topological Polar Surface Area: 63.6?2

Experimental Properties

Color/Form: Yellow crystals
Density: 1.150?g/mL?at 25?°C(lit.)
Boiling Point: 241-242?°C760?mm Hg(lit.)
Flash Point: 101?°F
Refractive Index: n20/D 1.4320(lit.)
PSA: 63.60000
LogP: 0.27020
Solubility: Not determined

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Security Information

Hazardous Material transportation number：UN 3272 3/PG 3
WGK Germany：3
Hazard Category Code： 10-36/37/38
Safety Instruction： S26; S36
Hazardous Material Identification：
Risk Phrases：R10

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Customs Data

HS CODE：2918990090
Customs Data：

China Customs Code:
2918990090

Overview:

2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

Declaration elements:

Product Name, component content, use to

Summary:

2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Fluorochem	208963-250mg	R)-4-Methoxy-2-methyl-4-oxobutanoic acid	81025-83-4	95%	250mg	￡119.00	2022-02-28
Fluorochem	208963-1g	R)-4-Methoxy-2-methyl-4-oxobutanoic acid	81025-83-4	95%	1g	￡306.00	2022-02-28
Fluorochem	208963-5g	R)-4-Methoxy-2-methyl-4-oxobutanoic acid	81025-83-4	95%	5g	￡791.00	2022-02-28
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-TQ739-100mg	(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester	81025-83-4	95+%	100mg	676CNY	2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-TQ739-250mg	(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester	81025-83-4	95+%	250mg	1623CNY	2021-05-08
TRC	M329420-100mg	(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester	81025-83-4		100mg	$133.00	2023-05-17
TRC	M329420-1g	(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester	81025-83-4		1g	$ 410.00	2022-06-03
TRC	M329420-5g	(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester	81025-83-4		5g	$ 1200.00	2023-09-07
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-TQ739-1g	(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester	81025-83-4	95+%	1g	2634.0CNY	2021-07-12
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-TQ739-200mg	(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester	81025-83-4	95+%	200mg	1015.0CNY	2021-07-12

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Production Method

Production Method 1

22644-27-5

81025-83-4

Reaction Conditions

Reference

A chemoenzymatic synthesis of the C10-C19 moiety of FK506

Gu, Rui Lin; et al, Tetrahedron Letters, 1990, 31(23), 3283-6

Production Method 2

617-54-9

81025-83-4

Reaction Conditions

1.1 Reagents: Isopropanol Catalysts: NAD , Reductase Solvents: Toluene , Water , Polypropylene glycol ; 48 h, pH 8, 30 °C
1.2 Reagents: Potassium hydroxide Catalysts: Subtilisin Solvents: Water ; 24 h, pH 7.5, 30 °C

Reference

A three-enzyme system involving an ene-reductase for generating valuable chiral building blocks

Mangan, David; et al, Advanced Synthesis & Catalysis, 2012, 354(11-12), 2185-2190

Production Method 3

81025-83-4

Reaction Conditions

1.1 Reagents: Sodium periodate Catalysts: Ruthenium trichloride Solvents: Acetonitrile , Ethyl acetate , Water ; rt; 40 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; rt

Reference

Enantioselective Formal C-H Conjugate Addition of Acetanilides to β-Substituted Acrylates by Chiral Iridium Catalysts

Shibata, Takanori; et al, Chemistry - A European Journal, 2017, 23(1), 88-91

Production Method 4

81025-83-4

Reaction Conditions

1.1 Reagents: Hydrogen Catalysts: Iridium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene](pyridine)(tricyclohexylphosphine)-… Solvents: Methanol , Dichloromethane ; 5 h, rt
2.1 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran , Water ; 5 h, rt
2.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1, rt

Reference

Stereoselective catalytic hydrogenation and conjugate reduction of 4-methyl itaconate derivatives bearing a chiral auxiliary

Kumazaki, Eri; et al, Tetrahedron, 2013, 69(16), 3486-3494

Production Method 5

97-65-4

81025-83-4

Reaction Conditions

1.1 Reagents: Amberlyst 15 Solvents: Methanol ; 6 d, rt
2.1 Reagents: Hydrogen Catalysts: Rhodium(1+), bis[(1,2,5,6-η)-1,5-cyclooctadiene]-, tetrafluoroborate(1-) (1:1) , 1-(11bS)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-ylpiperidine Solvents: Methanol ; 18 h, 5 bar, rt

Reference

Synthesis of versatile building blocks through asymmetric hydrogenation of functionalized itaconic acid monoesters

Hekking, Koen F. W.; et al, Advanced Synthesis & Catalysis, 2008, 350(1), 85-94

Production Method 6

7338-27-4

94594-90-8

81025-83-4

Reaction Conditions

1.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ; 1 h, 0 °C; 0 °C → rt; overnight, rt
2.1 Reagents: Hydrogen Catalysts: Iridium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene](pyridine)(tricyclohexylphosphine)-… Solvents: Methanol , Dichloromethane ; 5 h, rt
3.1 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran , Water ; 5 h, rt
3.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1, rt

Reference

Stereoselective catalytic hydrogenation and conjugate reduction of 4-methyl itaconate derivatives bearing a chiral auxiliary

Kumazaki, Eri; et al, Tetrahedron, 2013, 69(16), 3486-3494

Production Method 7

4100-80-5

81025-83-4

111266-16-1

Reaction Conditions

1.1 Catalysts: 1,4-Bis[(9S)-10,11-dihydro-6′-methoxycinchonan-9-yl]-9,10-anthracenedione Solvents: Diethyl ether

Reference

Parallel Kinetic Resolutions of Monosubstituted Succinic Anhydrides Catalyzed by a Modified Cinchona Alkaloid

Chen, Yonggang; et al, Journal of the American Chemical Society, 2001, 123(45), 11302-11303

Production Method 8

7338-27-4

81025-83-4

Reaction Conditions

1.1 Reagents: Hydrogen Catalysts: Rhodium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene][1,1′-(1,2-ethanediyl)bis[1,1-diphe… Solvents: Methanol ; 15 bar

Reference

Total Syntheses of Nominal and Actual Prorocentin

Zachmann, Raphael J.; et al, Journal of the American Chemical Society, 2023, 145(4), 2584-2595

Production Method 9

7338-27-4

81025-83-4

Reaction Conditions

1.1 Reagents: Hydrogen Catalysts: 2226424-75-3 (solution Rh complex) Solvents: Methanol ; 2 h, 1 bar, 22 °C

Reference

Modular 1,1'-Ferrocenediyl-cored P-Stereogenic Diphosphines: ''JDayPhos'' Series and its Use in Rhodium(I)-Catalyzed Hydrogenation

Poklukar, Gasper; et al, Advanced Synthesis & Catalysis, 2018, 360(13), 2566-2570

Production Method 10

81025-83-4

Reaction Conditions

1.1 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran , Water ; 5 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1, rt

Reference

Stereoselective catalytic hydrogenation and conjugate reduction of 4-methyl itaconate derivatives bearing a chiral auxiliary

Kumazaki, Eri; et al, Tetrahedron, 2013, 69(16), 3486-3494

Production Method 11

1604-11-1

81025-83-4

Reaction Conditions

1.1 Reagents: Esterase

Reference

Enzymic preparation of alkanedicarboxylic acid monoesters

Ozaki, Eiji; et al, Chemistry Letters, 1995, (7), 539-40

Production Method 12

81025-83-4

Reaction Conditions

1.1 Reagents: Butyllithium
1.2 Reagents: 4-Benzyl-2-oxazolidinone
1.3 Reagents: Hexamethyldisiloxane
1.4 -
1.5 Reagents: Lithium hydroxide , Hydrogen peroxide Solvents: Water

Reference

Proteomic profiling of metalloprotease activities with cocktails of active-site probes

Sieber, Stephan A.; et al, Nature Chemical Biology, 2006, 2(5), 274-281

Production Method 13

498-23-7

81025-83-4

Reaction Conditions

1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ; 30 min, 25 °C
1.2 1 h, 25 °C; 60 h, 25 °C
2.1 Reagents: Isopropanol Catalysts: NAD , Reductase Solvents: Toluene , Water , Polypropylene glycol ; 48 h, pH 8, 30 °C
2.2 Reagents: Potassium hydroxide Catalysts: Subtilisin Solvents: Water ; 24 h, pH 7.5, 30 °C

Reference

A three-enzyme system involving an ene-reductase for generating valuable chiral building blocks

Mangan, David; et al, Advanced Synthesis & Catalysis, 2012, 354(11-12), 2185-2190

Production Method 14

537-92-8

81025-83-4

Reaction Conditions

1.1 Catalysts: Iridium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene][(1,2-dimethyl-1,2-ethanediyl)bis[d… Solvents: 1,4-Dioxane ; 72 h, 120 °C
2.1 Reagents: Sodium periodate Catalysts: Ruthenium trichloride Solvents: Acetonitrile , Ethyl acetate , Water ; rt; 40 h, rt
2.2 Reagents: Hydrochloric acid Solvents: Water ; rt

Reference

Enantioselective Formal C-H Conjugate Addition of Acetanilides to β-Substituted Acrylates by Chiral Iridium Catalysts

Shibata, Takanori; et al, Chemistry - A European Journal, 2017, 23(1), 88-91

Production Method 15

97-65-4

81025-83-4

Reaction Conditions

1.1 Catalysts: Acetyl chloride Solvents: Methanol ; 20 min, reflux
2.1 Reagents: Hydrogen Catalysts: Rhodium(1+), [3,4-bis[(2R,5R)-2,5-dimethyl-1-phospholanyl-κP]-2,5-furandione][(1… Solvents: Dichloromethane ; 48 h, 4 bar, rt

Reference

A convergent approach to (-)-callystatin A based on local symmetry

Candy, Mathieu; et al, Chemistry - A European Journal, 2012, 18(45), 14267-14271

Production Method 16

97-65-4

81025-83-4

Reaction Conditions

1.1 Catalysts: Nafion SAC 13 Solvents: Methanol ; 3 h, 295 K
2.1 Reagents: Benzylamine , Hydrogen Catalysts: Cinchonidine , Palladium Solvents: Methanol ; 30 min, 2 MPa, 295 K

Reference

Enantioselective hydrogenation of itaconic acid over cinchona alkaloid modified supported palladium catalyst

Szoellosi, Gyoergy; et al, Applied Catalysis, 2007, 319, 193-201

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Raw materials

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Preparation Products

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81025-83-4 ((R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester) Related Products

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Cas no 81025-83-4 ((R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester)

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Security Information

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Customs Data

China Customs Code:

Overview:

Declaration elements:

Summary:

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Pricemore >>

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Production Method

Production Method 1

Production Method 2

Production Method 3

Production Method 4

Production Method 5

Production Method 6

Production Method 7

Production Method 8

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Production Method 11

Production Method 12

Production Method 13

Production Method 14

Production Method 15

Production Method 16

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Raw materials

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Preparation Products

(R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester Related Literature

81025-83-4 ((R)-(+)-2-Methylsuccinic Acid 4-Methyl Ester) Related Products