Cas no 163254-35-1 (Methyl 3-(tert-Butoxycarbonylamino)butanoate)

Methyl 3-(tert-Butoxycarbonylamino)butanoate is a protected amino acid derivative widely used in peptide synthesis and organic chemistry. The tert-butoxycarbonyl (Boc) group serves as a robust protecting group for amines, ensuring stability under various reaction conditions while allowing selective deprotection under acidic conditions. The methyl ester functionality enhances solubility and reactivity, facilitating further transformations such as hydrolysis or amidation. This compound is particularly valuable in the synthesis of complex molecules, offering high purity and reliable performance in multi-step synthetic routes. Its well-defined protective group strategy makes it a preferred choice for researchers in medicinal chemistry and pharmaceutical development.
Methyl 3-(tert-Butoxycarbonylamino)butanoate structure
163254-35-1 structure
Product Name:Methyl 3-(tert-Butoxycarbonylamino)butanoate
CAS No:163254-35-1
MF:C10H19NO4
MW:217.26216340065
CID:1342732
PubChem ID:3307866
Update Time:2025-06-08

Methyl 3-(tert-Butoxycarbonylamino)butanoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate
    • CTK0B6992
    • Propanedinitrile, methyl(phenylseleno)-
    • ACMC-20n0gw
    • methyl(phenylseleno)malononitrile
    • 2-Methyl-2-(phenylseleno)malononitrile
    • methyl(phenylseleno)malonodinitrile
    • (R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid, methyl ester
    • methyl phenylselenomalonitrile
    • methyl(R)-3-(Boc-amino)butanoate
    • methylphenylselenomalononitrile
    • AGN-PC-0031M1
    • CTK0B6992; Propanedinitrile, methyl(phenylseleno)-; ACMC-20n0gw; methyl(phenylseleno)malononitrile; 2-Methyl-2-(phenylseleno)malononitrile; methyl(phenylseleno)malonodinitrile; (R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid, methyl ester; methyl phenylselenomalonitrile; methyl(R)-3-(Boc-amino)butanoate; methylphenylselenomalononitrile; AGN-PC-0031M1;
    • Methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
    • Methyl 3-((tert-butoxycarbonyl)amino)butanoate
    • 106539-14-4
    • Methyl3-((tert-butoxycarbonyl)amino)butanoate
    • 163254-35-1
    • SCHEMBL1369013
    • SY245313
    • Methyl 3-(tert-butoxycarbonylamino)butanoate
    • Methyl (R)-3-(Boc-amino)butanoate
    • MFCD03788463
    • Methyl 3-(tert-Butoxycarbonylamino)butanoate
    • Inchi: 1S/C10H19NO4/c1-7(6-8(12)14-5)11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)
    • InChI Key: SUHJJLDEYCLBFT-UHFFFAOYSA-N
    • SMILES: O(C(NC(C)CC(=O)OC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 217.13147
  • Monoisotopic Mass: 217.13140809g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 232
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 64.6?2

Experimental Properties

  • PSA: 64.63

Methyl 3-(tert-Butoxycarbonylamino)butanoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M296910-10mg
Methyl 3-(tert-Butoxycarbonylamino)butanoate
163254-35-1
10mg
$ 50.00 2022-06-04
TRC
M296910-50mg
Methyl 3-(tert-Butoxycarbonylamino)butanoate
163254-35-1
50mg
$ 185.00 2022-06-04
TRC
M296910-100mg
Methyl 3-(tert-Butoxycarbonylamino)butanoate
163254-35-1
100mg
$ 275.00 2022-06-04

Additional information on Methyl 3-(tert-Butoxycarbonylamino)butanoate

Comprehensive Overview of Methyl 3-(tert-Butoxycarbonylamino)butanoate (CAS No. 163254-35-1)

Methyl 3-(tert-Butoxycarbonylamino)butanoate (CAS No. 163254-35-1) is a specialized organic compound widely utilized in pharmaceutical synthesis, peptide chemistry, and advanced material research. This ester derivative, featuring a tert-butoxycarbonyl (Boc) protecting group, is highly valued for its stability and versatility in multi-step synthetic processes. Its molecular structure, combining a methyl ester and a Boc-protected amine, makes it a critical intermediate for constructing complex molecules, particularly in drug discovery and bioconjugation applications.

In recent years, the demand for Boc-protected amino acid derivatives like Methyl 3-(tert-Butoxycarbonylamino)butanoate has surged due to their role in developing peptide-based therapeutics and small-molecule inhibitors. Researchers frequently search for "Boc-protecting group applications" or "synthetic routes for amino acid esters," reflecting the compound's relevance in modern organic chemistry. Its compatibility with solid-phase peptide synthesis (SPPS) and mild deprotection conditions further enhances its appeal.

The compound's CAS No. 163254-35-1 is a key identifier in regulatory and commercial databases, ensuring precise tracking in supply chains. Analytical techniques such as HPLC, NMR, and mass spectrometry are routinely employed to verify its purity, a topic often queried in scientific forums. Environmental and safety considerations are also trending topics, with users seeking "green chemistry alternatives for Boc deprotection" or "handling guidelines for lab-scale use."

From an industrial perspective, Methyl 3-(tert-Butoxycarbonylamino)butanoate is synthesized via carbodiimide-mediated coupling or enzymatic esterification, methods frequently discussed in patent literature. Its stability under acidic conditions—unlike other protecting groups—makes it ideal for orthogonal synthesis strategies. This property aligns with the growing interest in "multi-component reactions" and "cascade catalysis," as highlighted in recent publications.

Emerging applications include its use in biodegradable polymers and drug-delivery systems, where the Boc group's controlled removal is advantageous. The compound's role in prodrug design is another hot topic, particularly for enhancing bioavailability of polar active pharmaceutical ingredients (APIs). Such innovations address frequent search queries like "improving drug solubility with ester prodrugs."

In summary, Methyl 3-(tert-Butoxycarbonylamino)butanoate (CAS No. 163254-35-1) exemplifies the intersection of synthetic efficiency and functional diversity. Its adaptability to high-throughput screening and automated synthesis platforms positions it as a staple in both academic and industrial settings, answering the demand for "scalable chiral building blocks"—a phrase increasingly prevalent in chemical procurement databases.

Recommended suppliers
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited