Cas no 58561-04-9 ((S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate)

(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate is a chiral ester derivative of valine, widely used as an intermediate in organic synthesis and pharmaceutical applications. Its tert-butoxycarbonyl (Boc) protecting group enhances stability, allowing selective deprotection under mild acidic conditions. The methyl ester functionality provides versatility for further transformations, such as hydrolysis or amidation. The stereocenter at the α-position ensures enantioselective synthesis, making it valuable for producing optically active compounds. This compound is particularly useful in peptide synthesis and the preparation of bioactive molecules. High purity and well-defined stereochemistry ensure consistent performance in demanding synthetic workflows. Proper storage under inert conditions is recommended to maintain stability.

(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate structure

58561-04-9 structure

Product Name:(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate

CAS No:58561-04-9

MF:C₁₁H₂₁NO₄

MW:231.28874373436

MDL:MFCD00672510

CID:366679

PubChem ID:24870348

Update Time:2025-06-06

(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate Chemical and Physical Properties

Names and Identifiers

- L-Valine,N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
- (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
- Boc-L-valine methyl ester
- Boc-L-Val-OMe
- Boc-Val-OMe
- N-(tert-Butoxycarbonyl)-L-valine methyl ester
- BOC VALINE METHYLESTER
- N-Boc-L-valine methyl ester
- N-Boc-L-Val-OMe
- N-t-butoxycarbonyl-L-valine methyl ester
- (S)-Methyl 2-[(tert-Butoxycarbonyl)amino]-3-methylbutanoate
- Boc-valine methyl ester
- (S)-methyl 2-(tert-butoxycarbonylamino)-3-methylbutanoate
- L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
- Boc-Val-OMe;
- Boc-L-valine methylester
- XCJLIYKAMLUDGN-QMMMGPOBSA-N
- 8683AB
- AM82376
- EBD222
- B6020
- (S)-METHYL 2-(TERT-BUTOXYCARBONYL AMINO)-3-METHYLBUTANOATE
- N-(tert-Butoxycarbonyl)-(L)-valine methyl ester
- CS-W008593
- SCHEMBL1505521
- (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate (Boc-L-Val-OMe)
- AKOS008227297
- methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
- 58561-04-9
- MFCD00672510
- N-(tert-Butoxycarbonyl)-L-valine methyl ester, 98%
- N-(tert.-butyloxycarbonyl)-L-valine methyl ester
- HY-41048
- DTXSID60452647
- (S)-Methyl2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
- DS-15180
- PD195991
- J-300296
- A869412
- DA-71665
- METHYL (2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-METHYLBUTANOATE
- MDL： MFCD00672510
- Inchi： 1S/C11H21NO4/c1-7(2)8(9(13)15-6)12-10(14)16-11(3,4)5/h7-8H,1-6H3,(H,12,14)/t8-/m0/s1
- InChI Key： XCJLIYKAMLUDGN-QMMMGPOBSA-N
- SMILES： O(C(N[C@H](C(=O)OC)C(C)C)=O)C(C)(C)C

Computed Properties

Exact Mass: 231.14700
Monoisotopic Mass: 231.14705815g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 16
Rotatable Bond Count: 6
Complexity: 255
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: 2
XLogP3: 2.2
Topological Polar Surface Area: 64.599

Experimental Properties

Color/Form: Not available
Density: 1.004?g/mL?at 25?°C(lit.)
Melting Point: 194℃
Boiling Point: 194?°C(lit.)
Flash Point: Degrees Fahrenheit:235.4°F
Degrees Celsius:113°C
Refractive Index: n20/D 1.44(lit.)
PSA: 64.63000
LogP: 2.09960
Optical Activity: [α]20/D ?22°, c =?1 in methanol
Solubility: Not available

(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate Security Information

Hazard Statement： H315-H319-H335
Hazardous Material transportation number：NONH for all modes of transport
WGK Germany：3

(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Fluorochem	222206-1g	Boc-Val-OMe	58561-04-9	95%	1g	￡10.00	2022-02-28
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B6020-25G	(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate	58561-04-9	95.0%(LC&T)	25G	520.0CNY	2021-07-12
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B6020-5G	(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate	58561-04-9	95.0%(LC&T)	5G	190.0CNY	2021-07-12
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-HW974-20g	(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate	58561-04-9	97%	20g	180.0CNY	2021-07-12
Chemenu	CM119723-100g	N-Boc-L-valine Methyl Ester	58561-04-9	97%	100g	$***	2023-05-30
abcr	AB443148-10 g	(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate (Boc-L-Val-OMe); .	58561-04-9		10g	€77.40	2023-07-18
abcr	AB443148-5 g	(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate; .	58561-04-9		5g	€68.80	2022-06-10
abcr	AB443148-25 g	(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate (Boc-L-Val-OMe); .	58561-04-9		25g	€95.30	2023-07-18
abcr	AB443148-100 g	(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate (Boc-L-Val-OMe); .	58561-04-9		100g	€186.20	2023-07-18
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	S839123-5g	(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate	58561-04-9	98%	5g	66.60	2021-05-17

(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate Suppliers

Suzhou Senfeida Chemical Co., Ltd

Gold Member

Audited Supplier

(CAS:58561-04-9)BOC-VAL-OME

Order Number:sfd20604

Stock Status:in Stock

Quantity:200kg

Purity:99.9%

Pricing Information Last Updated:Friday, 19 July 2024 14:38

Price ($):discuss personally

Email:[email protected]

Product Official Link

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Related Categories

Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Amino acids and derivatives

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