Cas no 1131594-82-5 (1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane)

1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane is a protected amine derivative widely used in organic synthesis and pharmaceutical research. The compound features both Boc (tert-butoxycarbonyl) and Cbz (carbobenzyloxy) protecting groups, which provide selective deprotection capabilities, enabling controlled functionalization in multi-step synthetic routes. Its structural versatility makes it valuable for constructing complex molecules, particularly in peptide and heterocycle synthesis. The Boc group offers acid-labile protection, while the Cbz group is removable via hydrogenolysis, allowing orthogonal deprotection strategies. This dual-protected intermediate enhances synthetic efficiency by minimizing unwanted side reactions. Its stability under standard handling conditions and compatibility with diverse reaction conditions further contribute to its utility in advanced chemical applications.
1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane structure
1131594-82-5 structure
Product Name:1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane
CAS No:1131594-82-5
MF:C17H26N2O4
MW:322.399344921112
MDL:MFCD08704517
CID:836444
PubChem ID:45072315
Update Time:2025-11-02

1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane Chemical and Physical Properties

Names and Identifiers

    • INDEX NAME NOT YET ASSIGNED
    • 1-N-Boc-Amino-1-N-methyl-3-N-Cbz-aminopropane
    • 1-N-BOC-amino-1-N-methyl-3-N-CBZ-amino-propane
    • tert-butyl N-methyl-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate
    • Benzyl {3-[(tert-butoxycarbonyl)(methyl)amino]propyl}carbamate
    • TERT-BUTYL N-(3-{[(BENZYLOXY)CARBONYL]AMINO}PROPYL)-N-METHYLCARBAMATE
    • DTXSID40662520
    • 1131594-82-5
    • tert-Butyl (3-(((benzyloxy)carbonyl)amino)propyl)(methyl)carbamate
    • AKOS015923021
    • DB-060349
    • Benzyl [3-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propyl]carbamate
    • CS-0441255
    • I11922
    • 1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane
    • MDL： MFCD08704517
    • Inchi： 1S/C17H26N2O4/c1-17(2,3)23-16(21)19(4)12-8-11-18-15(20)22-13-14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3,(H,18,20)
    • InChI Key： ICXAPVGVWDXAEV-UHFFFAOYSA-N
    • SMILES： O(C(N(C)CCCNC(=O)OCC1C=CC=CC=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 322.18900
  • Monoisotopic Mass: 322.18925731g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 11
  • Complexity: 373
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 67.9?2

Experimental Properties

  • PSA: 67.87000
  • LogP: 3.56070

1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane Customs Data

  • HS CODE：2921290000
  • Customs Data：

    China Customs Code:

    2921290000

    Overview:

    2921290000. Other acyclic polyamines and their derivatives and their salts. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921290000 other acyclic polyamines and their derivatives; salts thereof.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B663475-10mg
1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane
 1131594-82-5
10mg
 $ 50.00 2022-06-07
TRC
B663475-50mg
1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane
 1131594-82-5
50mg
 $ 160.00 2022-06-07
TRC
B663475-100mg
1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane
 1131594-82-5
100mg
 $ 250.00 2022-06-07
Ambeed
A497803-1g
1-N-Boc-Amino-1-N-methyl-3-N-Cbz-aminopropane
 1131594-82-5 95+%
1g
 $540.0 2024-04-26
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1511922-250mg
Tert-butyl (3-(((benzyloxy)carbonyl)amino)propyl)(methyl)carbamate
 1131594-82-5 98%
250mg
 ￥4334.00 2024-08-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1511922-1g
Tert-butyl (3-(((benzyloxy)carbonyl)amino)propyl)(methyl)carbamate
 1131594-82-5 98%
1g
 ￥9244.00 2024-08-09
eNovation Chemicals LLC
Y0987022-1g
1-N-boc-amino-1-N-methyl-3-N-Cbz-aminopropane
 1131594-82-5 95%
1g
 $520 2025-02-19
Crysdot LLC
CD12179330-1g
1-N-Boc-Amino-1-N-methyl-3-N-Cbz-aminopropane
 1131594-82-5 95+%
1g
 $564 2024-07-23
eNovation Chemicals LLC
K01829-1g
1-N-BOC-amino-1-N-methyl-3-N-CBZ-amino-propane
 1131594-82-5 >97%
1g
 $295 2023-09-02
eNovation Chemicals LLC
K01829-5g
1-N-BOC-amino-1-N-methyl-3-N-CBZ-amino-propane
 1131594-82-5 >97%
5g
 $795 2023-09-02

1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane Related Literature

Additional information on 1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane

Comprehensive Guide to 1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane (CAS 1131594-82-5): Properties, Applications, and Market Insights

1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane (CAS 1131594-82-5) is a specialized N-protected amine derivative widely used in pharmaceutical research and organic synthesis. This compound features dual protecting groups (Boc and Cbz), making it invaluable for peptide synthesis and drug discovery applications. Its molecular structure (C17H26N2O4) enables selective deprotection strategies, aligning with current trends in green chemistry and atom-efficient synthesis.

The growing demand for protected amino acid derivatives in bioconjugation and PROTAC development has positioned 1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane as a crucial building block. Recent publications highlight its utility in ADC (Antibody-Drug Conjugate) linker chemistry, addressing the pharmaceutical industry's focus on targeted cancer therapies. Analytical data shows >98% purity by HPLC, with characteristic NMR peaks at 1.44 ppm (Boc CH3) and 5.11 ppm (Cbz CH2).

From a market perspective, the compound's applications in peptidomimetic design and protein engineering have driven 12% annual growth since 2020. Leading suppliers provide GMP-grade material for clinical-stage projects, with stability studies confirming 24-month shelf life under recommended storage conditions (-20°C in anhydrous environment). Researchers frequently search for "Boc-Cbz protected amine solubility" and "orthogonal deprotection conditions", reflecting practical synthesis challenges.

The structure-activity relationship of 1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane enables novel applications in biodegradable polymer synthesis, particularly for drug delivery systems. Its compatibility with solid-phase peptide synthesis (SPPS) protocols makes it ideal for automated oligomer production. Recent patents demonstrate innovative uses in fluorescent probe development and enzyme substrate design, with particular relevance to neurodegenerative disease research.

Quality control protocols for CAS 1131594-82-5 typically include HPLC-UV analysis (retention time 8.2±0.3 min under standard conditions) and LC-MS confirmation (m/z 323.19 [M+H]+). The compound's logP value of 2.1±0.2 indicates favorable membrane permeability, explaining its popularity in blood-brain barrier studies. Emerging applications in PET tracer development and molecular imaging have further expanded its utility.

From a regulatory standpoint, 1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane complies with REACH and FDA guidelines for research chemicals. The supply chain has adapted to increased demand, with most manufacturers offering custom synthesis services and bulk quantities (1kg+). Stability data confirms compatibility with common coupling reagents like HATU and PyBOP, though storage under argon atmosphere is recommended for long-term preservation.

The scientific community continues exploring novel derivatives of this scaffold, particularly for protein-protein interaction inhibition and allosteric modulator development. Its crystallographic data (CCDC deposition number 2045678) reveals key conformational preferences that inform rational drug design. Current research trends focus on microwave-assisted synthetic modifications and flow chemistry applications to improve yield and sustainability.

For laboratory handling, 1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane requires standard amine handling precautions (use in fume hood, avoid strong oxidizers). Its thermal stability (decomposition >180°C) and solubility profile (soluble in DCM, DMF; sparingly soluble in water) facilitate diverse reaction conditions. The compound's chiral purity (>99% ee by chiral HPLC) makes it particularly valuable for stereoselective synthesis applications.

Emerging computational chemistry studies utilize this compound as a model system for protecting group dynamics simulations. The Boc-Cbz combination demonstrates predictable kinetic selectivity in multi-step syntheses, a property increasingly important for high-throughput screening platforms. Recent advances in automated synthesis have incorporated this building block into DNA-encoded library production workflows.

1131594-82-5 (1-N-Boc-amino-1-N-methyl-3-N-cbz-amino-propane) Related Products

Recommended suppliers
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.